input stringlengths 105 985 | output stringlengths 16 6.56k |
|---|---|
### Instruction:
Please summerize the given abstract to a title
### Response:
Synthesis and evaluation of keto-glutamine analogues as potent inhibitors of severe acute respiratory syndrome 3CLpro.
### Response:
| The 3C-like proteinase (3CL(pro)) of severe acute respiratory syndrome (SARS) coronavirus is a key target for structure-based drug design against this viral infection. The enzyme recognizes peptide substrates with a glutamine residue at the P1 site. A series of keto-glutamine analogues with a phthalhydrazido group at t... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Phyto-compounds from a rather poisonous plant, Strychnos nux-vomica, show high potency against SARS-CoV-2 RNA-dependent RNA polymerase.
### Response:
| BACKGROUND Strategy to inhibit the virus replication is an attractive means in combating SARS-CoV-2 infection. OBJECTIVE We studied phyto-compounds from Strychnos nux-vomica (a poisonous plant) against SARS-CoV-2 RNA-dependent RNA polymerase by computational methods. METHOD Molecular docking, molecular dynamics (MD) si... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Reposition of Montelukast either alone or in combination with Levocetirizine against SARS-CoV-2
### Response:
| It has been hypothesised that antiallergic medications (AAMs) like montelukast and levocetirizine both the two bitter chloro compounds could be repurposed either alone or combinedly as an antiviral against SARS-CoV-2, like chloroquine/hydroxychloroquine (CQ/HCQ), anorher two bitter chloro compounds. Both AAMs and CQ/HC... |
### Instruction:
Please summerize the given abstract to a title
### Response:
A Novel Computational Approach for the Discovery of Drug Delivery System Candidates for COVID-19
### Response:
| In order to treat Coronavirus Disease 2019 (COVID-19), we predicted and implemented a drug delivery system (DDS) that can provide stable drug delivery through a computational approach including a clustering algorithm and the Schrödinger software. Six carrier candidates were derived by the proposed method that could fin... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Virtual Screening and Molecular Docking Studies for Discovery of Potential RNA-Dependent RNA Polymerase Inhibitors
### Response:
| The current COVID-19 pandemic is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. Globally, this pandemic has affected over 111 million individuals and posed many health and economic challenges. Much research effort is dedicated to discovering new treatments to address the associated ch... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Transcriptomics-based drug repositioning pipeline identifies therapeutic candidates for COVID-19
### Response:
| The novel SARS-CoV-2 virus emerged in December 2019 and has few effective treatments. We applied a computational drug repositioning pipeline to SARS-CoV-2 differential gene expression signatures derived from publicly available data. We utilized three independent published studies to acquire or generate lists of differe... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Design and synthesis of some imidazole derivatives: Theoretical evaluation of interaction with a coronavirus (HCoV-NL63)
### Response:
| Some compounds have been developed for the treatment of Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) using different protocols; however, some methods use different reagents which are dangerous and require special conditions. the objective of this investigation was to synthesize some imidazole derivatives fr... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Bioactive compounds from marine resources against novel corona virus (2019-nCoV): in silico study for corona viral drug.
### Response:
| Present research reports the molecular docking analysis of 2019-nCoV inhibition by antiviral compounds from marine natural resources. For this study, the structure of ligand (antiviral compound) and 2019-nCoV main protease (Mpro) was received from the databases of PubChem and Protein Data Bank (PDB), respectively. Mole... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Computational insight of dexamethasone against potential targets of SARS-CoV-2
### Response:
| The health sector has been on the race to find a potent therapy for coronavirus disease (COVID)-19, a diseases caused by severe acute respiratory syndrome coronavirus (SARS-CoV)-2. Repurposed anti-viral drugs have played a huge role in combating the virus, and most recently, dexamethasone (Dex) have shown its therapeut... |
### Instruction:
Please summerize the given abstract to a title
### Response:
The folate antagonist methotrexate diminishes replication of the coronavirus SARS-CoV-2 and enhances the antiviral efficacy of remdesivir in cell culture models
### Response:
| The search for successful therapies of infections with the coronavirus SARS-CoV-2 is ongoing. We tested inhibition of host cell nucleotide synthesis as a promising strategy to decrease the replication of SARS-CoV-2-RNA, thus diminishing the formation of virus progeny. Methotrexate (MTX) is an established drug for cance... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Natural Substances in the Fight of SARS-CoV-2: A Critical Evaluation Resulting from the Cross-Fertilization of Molecular Modeling Data with the Pharmacological Aspects
### Response:
| The recent pandemic due to SARS-CoV-2, the last isolated human beta-coronavirus, has revolutionized modern knowledge of the pathogenesis of viral pneumonia. The lack of specific antiviral drugs and the need to develop adequate research for new antiviral drugs capable of treating this new form of the disease undertook t... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Cellular Activities of SARS-CoV-2 Main Protease Inhibitors Reveal Their Unique Characteristics
### Response:
| As an essential enzyme of SARS-CoV-2, the pathogen of COVID-19, main protease (MPro) triggers acute toxicity to its human cell host, an effect that can be alleviated by an MPro inhibitor with cellular potency. By coupling this toxicity alleviation with the expression of an MPro-eGFP fusion protein in a human cell host ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
In silico study of pharmacological treatments against SARS-CoV2 main protease
### Response:
| The COVID-19 caused by a new type of coronavirus has emerged from China and led to thousands of death globally. Despite the efforts engaged in studying this newly emerged virus and searching for its treatment, the understanding of the COVID-19 drug and target protein interactions still represent a key challenge. Severa... |
### Instruction:
Please summerize the given abstract to a title
### Response:
In Vitro Analysis of the Anti-viral Potential of nasal spray constituents against SARS-CoV-2
### Response:
| Viral pandemics have taken a significant toll on humanity and the world now is contending with the SARS-CoV-2 epidemic. Readily available economical preventive measures should be immediately explored. Xylitol has been reported to reduce the severity of viral infections as well as the severity of pneumonia, and increase... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Discovery of Multi-Target-Directed Ligands by Targeting Host-specific SARS-CoV-2’s Structurally Conserved Main Protease
### Response:
| Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has resulted in the current COVID-19 pandemic. Worldwide this disease has infected around 1.5 million individuals with a mortality rate ranging from 5 to 10%. It has also imposed extreme challenges on global health, economy, and social behavior. Due... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of potent and safe antiviral therapeutic candidates against SARS-CoV-2
### Response:
| COVID-19 pandemic has infected millions of people with mortality exceeding 300,000. There is an urgent need to find therapeutic agents that can help clear the virus to prevent the severe disease and death. Identifying effective and safer drugs can provide with more options to treat the COVID-19 infections either alone ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Quinoxaline Derivatives as Antiviral Agents: A Systematic Review
### Response:
| BACKGROUND: In recent decades, several viruses have jumped from animals to humans, triggering sizable outbreaks. The current unprecedent outbreak SARS-COV-2 is prompting a search for new cost-effective therapies to combat this deadly pathogen. Suitably functionalized polysubstituted quinoxalines show very interesting b... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Potential Antiviral Options against SARS-CoV-2 Infection
### Response:
| As of June 2020, the number of people infected with severe acute respiratory coronavirus 2 (SARS-CoV-2) continues to skyrocket, with more than 6.7 million cases worldwide. Both the World Health Organization (WHO) and United Nations (UN) has highlighted the need for better control of SARS-CoV-2 infections. However, deve... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Virtual Drug Repurposing Study Against SARS-CoV-2 TMPRSS2 Target
### Response:
| Currently, the world suffers from a new coronavirus SARS-CoV-2 that causes COVID-19 Therefore, there is a need for the urgent development of novel drugs and vaccines for COVID-19 Since it can take years to develonew drugs against this disease, here we used a hybrid combined molecular modeling approach in virtual drug s... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2
### Response:
| An efficient treatment against a COVID-19 disease, caused by the novel coronavirus SARS-CoV-2 (CoV2), remains a challenge. The papain-like protease (PLpro) from the human coronavirus is a protease that plays a critical role in virus replication. Moreover, CoV2 uses this enzyme to modulate the host's immune system to it... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Re-Purposing of Hepatitis C Virus FDA Approved Direct Acting Antivirals as Potential SARS-CoV-2 Protease Inhibitors
### Response:
| A new coronavirus strain called as SARS-CoV-2 has emerged from Wuhan, China in late 2019 and it caused a worldwide pandemic in a few months. After the Second World War, it is the biggest calamity observed as there is no specific US Food and Drugs Administration (USFDA) approved drug or vaccine available globally for th... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Marine Algal Antioxidants as Potential Vectors for Controlling Viral Diseases
### Response:
| As the COVID-19 epidemic expands in the world, and with the previous SARS epidemic, avian flu, Ebola and AIDS serving as a warning, biomedical and biotechnological research has the task to find solutions to counteract viral entry and pathogenesis. A novel approach can come from marine chemodiversity, recognized as a re... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Comparative docking of SARS-CoV-2 receptors antagonists from repurposing drugs (preprint)
### Response:
| Observations: This work is not conclusive and is only computational simulations Under no circumstances should we extrapolate in silico studies into clinical practice, as it would violate medical ethics principles The main conclusion was that some drugs can be classified as false positives as predicted on the Hit Dexter... |
### Instruction:
Please summerize the given abstract to a title
### Response:
An Updated Review on SARS-CoV-2 Main Proteinase (MPro): Protein Structure and Small-Molecule Inhibitors
### Response:
| Coronaviruses (CoVs) are enveloped positive-stranded RNA viruses with spike (S) protein projections that allow the virus to enter and infect host cells. The S protein is a key virulence factor determining viral pathogenesis, host tropism, and disease pathogenesis. There are currently diverse corona viruses that are kno... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of alkaloids from Justicia adhatoda as potent SARS CoV-2 main protease inhibitors: An in silico perspective
### Response:
| The COVID-19 pandemic, caused by SARS CoV-2, is responsible for millions of death worldwide. No approved/proper therapeutics is currently available which can effectively combat this outbreak. Several attempts have been undertaken in the search of effective drugs to control the spread of SARS CoV-2 infection. The main p... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Repurposing of chloroquine and some clinically approved antiviral drugs as effective therapeutics to prevent cellular entry and replication of coronavirus
### Response:
| The reemergence of coronavirus prompts the need for the development of effective therapeutics to prevent the cellular entry and replication of coronavirus. This study demonstrated the putative inhibitory potential of lopinavir, remdesivir, oseltamir, azithromycin, ribavirin, and chloroquine towards V-ATPase, protein ki... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Homology Modeling of TMPRSS2 Yields Candidate Drugs That May Inhibit Entry of SARS-CoV-2 into Human Cells
### Response:
| The most rapid path to discovering treatment options for the novel coronavirus SARS-CoV-2 is to find existing medications that are active against the virus We have focused on identifying repurposing candidates for the transmembrane serine protease family member I(TMPRSS2), which is critical for entry of coronaviruses i... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Culinary spice bioactives as potential therapeutics against SARS-CoV-2: Computational investigation
### Response:
| BACKGROUND: Coronavirus disease-2019 (COVID-19) is an infectious pandemic caused by SARS-CoV-2. SARS-CoV-2 main protease (Mpro) and spike protein are crucial for viral replication and transmission. Spike protein recognizes the human ACE2 receptor and transmits SARS-CoV-2 into the human body. Thus, Mpro, spike protein, ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors
### Response:
| The COVID-19, caused by SARS-CoV-2, is threatening public health, and there is no effective treatment. In this study, we have implemented a multi-targeted anti-viral drug design strategy to discover highly potent SARS-CoV-2 inhibitors, which simultaneously act on the host ribosome, viral RNA as well as RNA-dependent RN... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture
### Response:
| Effective control of COVID-19 requires antivirals directed against SARS-CoV-2. We assessed 10 hepatitis C virus (HCV) protease-inhibitor drugs as potential SARS-CoV-2 antivirals. There is a striking structural similarity of the substrate binding clefts of SARS-CoV-2 main protease (Mpro) and HCV NS3/4A protease. Virtual... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Evolutionary relationship and repurposing of sars inhibitors against surface glycoprotein of SARS-COV-2
### Response:
| Objective: Coronaviruses are a group of similar viruses which cause fatal infection and responsible for affecting the upper respiratory tract in many organisms. Throughout the time these viruses have been found to affect human life by causing major pandemics like SARS, MERS and COVID-19 due to their high rate of mutati... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Screening and Molecular Modeling Evaluation of Food Peptides to Inhibit Key Targets of COVID-19 Virus
### Response:
| Peptide drugs, especially food-derived peptides, have a variety of functional activities including antiviral and may also have a therapeutic effect on COVID-19. In this study, comparing with the reported drugs, 79 peptides were found to bind to the key targets of COVID-19 virus with higher non-covalent interaction, whi... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Insilico drug repurposing using FDA approved drugs against Membrane protein of SARS-CoV-2
### Response:
| The novel coronavirus (SARS-CoV-2) outbreak has started taking away the millions of lives worldwide. Identification of known and approved drugs against novel coronavirus disease (COVID-19) seems to be an urgent need for the repurposing of the existing drugs. So, here we examined a safe strategy of using approved drugs ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Virtual screening of peptides with high affinity for SARS-CoV-2 main protease
### Response:
| The current pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused more than 2,000,000 deaths worldwide. Currently, vaccine development and drug repurposing have been the main strategies to find a COVID-19 treatment. However, the development of new drugs could be the solution if the main st... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Discovery of potent inhibitors of PLproCoV2 by screening a library of selenium-containing compounds
### Response:
| A collection of twelve organoselenium compounds, structural analogues of antioxidant drug ebselen were screened for inhibition of the papain-like protease (PLpro) from the acute respiratory syndrome coronavirus 2 (SARS-CoV-2, CoV2). This cysteine protease, being responsible for the hydrolysis of peptide bonds between s... |
### Instruction:
Please summerize the given abstract to a title
### Response:
An Updated Review on SARS-CoV-2 Main Proteinase (MPro): Protein Structure and Small-Molecule Inhibitors
### Response:
| Coronaviruses (CoVs) are enveloped positive-stranded RNA viruses with spike (S) protein projections that allow the virus to enter and infect host cells. The S protein is a key virulence factor determining viral pathogenesis, host tropism, and disease pathogenesis. There are currently diverse corona viruses that are kno... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Recent Perspectives on COVID-19 and Computer-Aided Virtual Screening of Natural Compounds for the Development of Therapeutic Agents Towards SARS-CoV-2
### Response:
| SARS-CoV-2 is the pathogen accountable for the recent COVID-19 outbreak that originated from China in December 2019. There are about a million confirmed cases of the infection, and thousands of deaths have been witnessed across 216 countries worldwide as of first week of July 2020. As no approved drugs are currently av... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of Potent COVID-19 Main Protease (Mpro) Inhibitors from Natural Polyphenols: An in Silico Strategy Unveils a Hope against CORONA
### Response:
| COVID-19, a rapidly spreading new strain of coronavirus, has affected more than 150 countries and received worldwide attention. The lack of efficacious drugs or vaccines against SARS-CoV-2 has further worsened the situation. Thus, there is an urgent need to boost up research for the development of effective therapeutic... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment
### Response:
| Viruses such as human cytomegalovirus (HCMV), human papillomavirus (HPV), Epstein-Barr virus (EBV), human immunodeficiency virus (HIV), and coronavirus (severe acute respiratory syndrome coronavirus 2 [SARS-CoV-2]) represent a great burden to human health worldwide. FDA-approved anti-parasite drug ivermectin is also an... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Preclinical In Silico Evidence Indicates the Pharmacological Targets and Mechanisms of Mogroside V in Patients With Ovarian Cancer and Coronavirus Disease 2019
### Response:
| The borderless transmission of coronavirus remains uncontrolled globally. The uncharted severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variant reduces the therapeutic efficacy of vaccines against coronavirus disease 2019 (COVID-19). Clinical observations suggest that tumour cases are highly infected with ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of druggable host targets needed for SARS-CoV-2 infection by combined pharmacological evaluation and cellular network directed prioritization both in vitro and in vivo
### Response:
| Identification of host factors contributing to replication of viruses and resulting disease progression remains a promising approach for development of new therapeutics. Here, we evaluated 6710 clinical and preclinical compounds targeting 2183 host proteins by immunocytofluorescence-based screening to identify SARS-CoV... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Compounds of plants with activity against SARS-CoV-2 targets
### Response:
| INTRODUCTION: The COVID-19 global pandemic is a public health emergency due to its high virulence and mortality. Many vaccine development studies at clinical trials are currently conducted to combat SARS-CoV-2. Plants are a rich source of phytochemicals with different biological activities, including antiviral activiti... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach
### Response:
| Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection depends on viral polyprotein processing, catalysed by the main proteinase (Mpro). The solution of the SARS-CoV-2 Mpro structure allowed the investigation of potential inhibitors. This work aims to provide first evidences of the applicability of comm... |
### Instruction:
Please summerize the given abstract to a title
### Response:
In-silico study of the inhibitory effect of some flavonoids compounds and their derivatives on SARSCOV-2
### Response:
| The pandemic of Coronavirus Disease 2019 forms a big threat to all people in the world around us In Iraq, there is a direct increase in the incidence, with a slight decrease in the mortality rate, and that leads us to attempt to find any way to stop or lessen the virus's harmful symptoms In the current study, we used m... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Computational and Experimental Studies Reveal That Thymoquinone Blocks the Entry of Coronaviruses Into In Vitro Cells
### Response:
| INTRODUCTION: Since December 2019, severe acute respiratory syndrome-related coronavirus-2 (SARS-CoV-2) has caused the coronavirus disease 2019 (COVID-19) pandemic in China and worldwide. New drugs for the treatment of COVID-19 are in urgent need. Considering the long development time for new drugs, the identification ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Computational Approaches to Assist Drug Repositioning for COVID-19
### Response:
| COVID-19, caused by the SARS-CoV-2 virus, has become a leading cause of morbidity and mortality worldwide. Drug repositioning, the process of finding new therapeutic indications for marketed drugs, is a promising alternative to new drug development, with lower costs and shorter development times. Here, we present two c... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Niclosamide shows strong antiviral activity in a human airway model of SARS-CoV-2 infection and a conserved potency against the Alpha (B.1.1.7), Beta (B.1.351) and Delta variant (B.1.617.2)
### Response:
| SARS-CoV-2 variants are emerging with potential increased transmissibility highlighting the great unmet medical need for new therapies. Niclosamide is a potent anti-SARS-CoV-2 agent that has advanced in clinical development. We validate the potent antiviral efficacy of niclosamide in a SARS-CoV-2 human airway model. Fu... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Giloy Ghanvati (Tinospora cordifolia (Willd.) Hook. f. and Thomson) Reversed SARS-CoV-2 Viral Spike-Protein Induced Disease Phenotype in the Xenotransplant Model of Humanized Zebrafish
### Response:
| The current Severe Acute Respiratory Syndrome disease caused by Coronavirus-2 (SARS-CoV-2) has been a serious strain on the healthcare infrastructure mainly due to the lack of a reliable treatment option. Alternate therapies aimed at symptomatic relief are currently prescribed along with artificial ventilation to relie... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Understanding COVID-19 Pathogenesis: A Drug-Repurposing Effort to Disrupt Nsp-1 Binding to Export Machinery Receptor Complex
### Response:
| Non-structural protein 1 (Nsp1) is a virulence factor found in all beta coronaviruses (b-CoVs). Recent studies have shown that Nsp1 of SARS-CoV-2 virus interacts with the nuclear export receptor complex, which includes nuclear RNA export factor 1 (NXF1) and nuclear transport factor 2-like export factor 1 (NXT1). The NX... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of Repurposable Drugs and Adverse Drug Reactions for Various Courses of COVID-19 Based on Single-Cell RNA Sequencing Data
### Response:
| Coronavirus disease 2019 (COVID-19) has impacted almost every part of human life worldwide, posing a massive threat to human health. There is no specific drug for COVID-19, highlighting the urgent need for the development of effective therapeutics. To identify potentially repurposable drugs, we employed a systematic ap... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity
### Response:
| The recent novel coronavirus, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2/2019-nCoV) has caused a large number of deaths around the globe. There is an urgent need to understand this new virus and develop prophylactic and therapeutic drugs. Since drug development is an expensive, intense and time-consumi... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Molecular docking and dynamics studies of Nicotinamide Riboside as a potential multi-target nutraceutical against SARS-CoV-2 entry, replication, and transcription: A new insight
### Response:
| The highly contagious Coronavirus Disease 2019 (COVID-19) caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), which is a newborn infectious member of the dangerous beta-coronaviruses (β-CoVs) following SARS and MERS‐CoVs, can be regarded as the most significant issue afflicting the whole world short... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Crosstalk between endoplasmic reticulum stress and anti-viral activities: A novel therapeutic target for COVID-19
### Response:
| The outbreak of COVID-19 caused by 2019–nCov/SARS-CoV-2 has become a pandemic with an urgent need for understanding the mechanisms and identifying a treatment. Viral infections including SARS-CoV are associated with increased levels of reactive oxygen species, disturbances of Ca(++) caused by unfolded protein response ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
An in vitro assessment of anti-SARS-CoV-2 activity of oral preparations of iodine complexes (RENESSANS)
### Response:
| Since the emergence of CoVID-19 pandemic in China in late 2019, scientists are striving hard to explore non-toxic, viable anti-SARS-CoV-2 compounds or medicines. We determined In Vitro anti-SARS-CoV-2 activity of oral formulations (syrup and capsule) of an Iodine-complex (Renessans). A monolayer of vero cells were expo... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Virtual and In Vitro Antiviral Screening Revive Therapeutic Drugs for COVID-19
### Response:
| [Image: see text] The urgent need for a cure for early phase COVID-19 infected patients critically underlines drug repositioning strategies able to efficiently identify new and reliable treatments by merging computational, experimental, and pharmacokinetic expertise. Here we report new potential therapeutics for COVID-... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Phytochemicals of Rhus spp. as Potential Inhibitors of the SARS-CoV-2 Main Protease: Molecular Docking and Drug-Likeness Study
### Response:
| Background: The outbreak of coronavirus disease 2019 (COVID-19) induced by the novel coronavirus severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) originated in China and spread to cover the entire world with an ongoing pandemic The magnitude of the situation and the fast spread of the new and deadly virus, ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
An Evaluation of Traditional Persian Medicine for the Management of SARS-CoV-2
### Response:
| A new coronavirus causing severe acute respiratory syndrome (SARS-CoV-2) has emerged and with it, a global investigation of new antiviral treatments and supportive care for organ failure due to this life-threatening viral infection Traditional Persian Medicine (TPM) is one of the most ancient medical doctrines mostly k... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Developing effective siRNAs to reduce the expression of key viral genes of COVID-19
### Response:
| The COVID-19 pandemic has been raging worldwide for more than a year. Many efforts have been made to create vaccines and develop new antiviral drugs to cope with the disease. Here, we propose the application of short interfering RNAs (siRNAs) to degrade the viral genome, thus reducing viral infection. By introducing th... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Targeting novel coronavirus SARS-CoV-2 spike protein with phytoconstituents of Momordica charantia
### Response:
| BACKGROUND: Infections by the SARS-CoV-2 virus causing COVID-19 are presently a global emergency. The current vaccination effort may reduce the infection rate, but strain variants are emerging under selection pressure. Thus, there is an urgent need to find drugs that treat COVID-19 and save human lives. Hence, in this ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Discovery of Clioquinol and Analogues as Novel Inhibitors of Severe Acute Respiratory Syndrome Coronavirus 2 Infection, ACE2 and ACE2 - Spike Protein Interaction In Vitro
### Response:
| Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), the etiological agent for coronavirus disease 2019 (COVID-19), has emerged as an ongoing global pandemic. Presently, there are no clinically approved vaccines nor drugs for COVID-19. Hence, there is an urgent need to accelerate the development of effective a... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Discovery of Potent SARS-CoV-2 Inhibitors from Approved Antiviral Drugs via Docking Screening
### Response:
| BACKGROUND: Corona Virus Disease 2019 (COVID-19) pandemic threatens patients, societies and healthcare systems around the world. There is an emergent need to search for possible medications. OBJECTIVE: This article intends to use virtual screening and molecular docking methods to find potential inhibitors that can resp... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Structural insights and inhibition mechanism of TMPRSS2 by experimentally known inhibitors Camostat mesylate, Nafamostat and Bromhexine hydrochloride to control SARS-Coronavirus-2: A molecular modeling approach
### Response:
| Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) has been responsible for the cause of global pandemic Covid-19 and to date, there is no effective treatment available The spike ‘S’ protein of SARS-CoV-2 and ACE2 of the host cell are being targeted to design new drugs to control Covid-19 Similarly, a transme... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs
### Response:
| Drug repositioning is the only feasible option to immediately address the COVID-19 global challenge. We screened a panel of 48 FDA-approved drugs against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) which were preselected by an assay of SARS-CoV. We identified 24 potential antiviral drug candidates agai... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
### Response:
| Since early 2020, COVID-19 has grown to affect the lives of billions globally. A worldwide investigation has been ongoing for characterizing the virus and also for finding an effective drug and developing vaccines. As time has been of the essence, a crucial part of this research has been drug repurposing;therefore, con... |
### Instruction:
Please summerize the given abstract to a title
### Response:
SARS-CoV-2 Spike Protein-Induced Interleukin 6 Signaling Is Blocked by a Plant-Produced Anti-Interleukin 6 Receptor Monoclonal Antibody
### Response:
| Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative agent of the current COVID-19 pandemic, has caused more than 4.5 million deaths worldwide. Severe and fatal cases of COVID-19 are often associated with increased proinflammatory cytokine levels including interleukin 6 (IL-6) and acute respirato... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Assessment of effective imidazole derivatives against SARS-CoV-2 main protease through computational approach
### Response:
| Because of the fast increase in deaths due to Corona Viral Infection in majority region in the world, the detection of drugs potent of this infection is a major need. With this idea, docking study was executed on eighteen imidazole derivatives based on 7-chloro-4-aminoquinoline against novel Coronavirus (SARS-CoV-2). I... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Repurposing potential of FDA approved and investigational drugs for COVID-19 targeting SARS-CoV-2 spike and main protease and validation by machine learning algorithm
### Response:
| The present study aimed to assess the repurposing potential of existing antiviral drug candidates (FDA approved and investigational) against SARS-CoV-2 target proteins that facilitates viral entry and replication into the host body. To evaluate molecular affinities between antiviral drug candidates and SARS-CoV-2 assoc... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Network bioinformatics analysis provides insight into drug repurposing for COVID-19
### Response:
| The COVID-19 disease caused by the SARS-CoV-2 virus is a health crisis worldwide. While developing novel drugs and vaccines is long, repurposing existing drugs against COVID-19 can yield treatments with known preclinical, pharmacokinetic, pharmacodynamic, and toxicity profiles, which can rapidly enter clinical trials. ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of lead compounds from large natural product library targeting 3C-like protease of SARS-CoV-2 using E-pharmacophore modelling, QSAR and molecular dynamics simulation
### Response:
| COVID-19 is a novel disease caused by SARS-CoV-2 and has made a catastrophic impact on the global economy. As it is, there is no officially FDA approved drug to alleviate the negative impact of SARS-CoV-2 on human health. Numerous drug targets for neutralizing coronavirus infection have been identified, among them is 3... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Green Tea Polyphenol Catechins Inhibit Coronavirus Replication and Potentiate the Adaptive Immunity and Autophagy-Dependent Protective Mechanism to Improve Acute Lung Injury in Mice
### Response:
| Effective antiviral therapeutics are urgently required to fight severe acute respiratory syndrome (SARS) caused by a SARS coronavirus (SARS-CoV). Because polyphenol catechins could confer antioxidative, anti-inflammatory, antiviral, and antimicrobial activities, we assessed the therapeutic effects of catechins against ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
pH Effect on the Dynamics of SARS-CoV-2 Main Protease (Mpro)
### Response:
| The SARS-CoV-2 main protease (Mpro) is a crucial enzyme responsible for the maturation of novel coronavirus, thus it serves as an excellent target for drug discovery. SARS-CoV-2 is found to have similarity with SARS-CoV, which showed conformational changes upon varying pH. There is no study till date on how pH change a... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Spontaneous binding of potential COVID-19 drugs (Camostat and Nafamostat) to human serine protease TMPRSS2
### Response:
| Effective treatment or vaccine is not yet available for combating SARS coronavirus 2 (SARS-CoV-2) that caused the COVID-19 pandemic. Recent studies showed that two drugs, Camostat and Nafamostat, might be repurposed to treat COVID-19 by inhibiting human TMPRSS2 required for proteolytic activation of viral spike (S) gly... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Epigallocatechin Gallate Inhibits the Uridylate-Specific Endoribonuclease Nsp15 and Efficiently Neutralizes the SARS-CoV-2 Strain
### Response:
| SARS-CoV-2, the coronavirus strain that initiated the COVID-19 pandemic, and its subsequent variants present challenges to vaccine development and treatment. As the coronavirus evades the host innate immune response at the initial stage of infection, the disease can have a long nonsymptomatic period. The uridylate-spec... |
### Instruction:
Please summerize the given abstract to a title
### Response:
In silico Studies on the Interaction Between Mpro and PLpro From SARS‐CoV‐2 and Ebselen, its Metabolites and Derivatives
### Response:
| The COVID‐19 pandemic caused by the SARS‐CoV‐2 has mobilized scientific attention in search of a treatment. The cysteine‐proteases, main protease (Mpro) and papain‐like protease (PLpro) are important targets for antiviral drugs. In this work, we simulate the interactions between the Mpro and PLpro with Ebselen, its met... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Natural products and phytochemicals as potential anti‐SARS‐CoV‐2 drugs
### Response:
| The current pandemic responsible for the crippling of the health care system is caused by the novel SARS‐CoV‐2 in 2019 and leading to coronavirus disease 2019 (COVID‐19). The virus enters into humans by attachment of its Spike protein (S) to the ACE receptor present on the lung epithelial cell surface followed by cleav... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Exploring the binding mechanism of the main proteinase in SARS-associated coronavirus and its implication to anti-SARS drug design
### Response:
| The main proteinase of SARS-associated coronavirus (SARS-CoV) plays an important role in viral transcription and replication, and is an attractive target for anti-SARS drug development. The important thing is to understand its binding mechanism with possible ligands. In this study, we investigated possible noncanonical... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 M(pro)
### Response:
| COVID-19 is a viral pandemic caused by SARS-CoV-2. Due to its highly contagious nature, millions of people are getting affected worldwide knocking down the delicate global socio-economic equilibrium. According to the World Health Organization, COVID-19 has affected over 186 million people with a mortality of around 4 m... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Iota-carrageenan prevents the replication of SARS-CoV-2 on an in vitro respiratory epithelium model
### Response:
| There are, except for remdesivir, no approved antivirals for the treatment or prevention of SARS-CoV-2 infections. Iota-carrageenan formulated into a nasal spray has already been proven safe and effective in viral respiratory infections. We explored this antiviral activity in Calu-3, a human respiratory model cell line... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Silybin B and Cianidanol Inhibit M pro and Spike Protein of SARS-CoV-2: Evidence from in Silico Molecular Docking Studies
### Response:
| BACKGROUND: The main proteases (Mpro) and Spike Proteins (SP) of Severe Acute Respiratory Syndrome Coronavirus 2 (SARSCoV-2) play a major role in viral infection development by producing several non-structural proteins (nsPs) and penetrating the host cells respectively. In this study, the potential of in silico molecul... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Alkaloids as Potential Phytochemicals against SARS-CoV-2: Approaches to the Associated Pivotal Mechanisms
### Response:
| Since its inception, the coronavirus disease 2019 (COVID-19) pandemic has infected millions of people around the world. Therefore, it is necessary to find effective treatments against Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2), as it is the viral source of COVID-19. Alkaloids are one of the most wides... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin.
### Response:
| The COVID-19 pandemic caused by nonstop infections of SARS-CoV-2 has continued to ravage many countries worldwide. Here we report that suramin, a 100-year-old drug, is a potent inhibitor of the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) and acts by blocking the binding of RNA to the enzyme. In biochemical assays, s... |
### Instruction:
Please summerize the given abstract to a title
### Response:
A painful lesson from the COVID-19 pandemic: the need for broad-spectrum, host-directed antivirals
### Response:
| While the COVID-19 pandemic has spurred intense research and collaborative discovery worldwide, the development of a safe, effective, and targeted antiviral from the ground up is time intensive. Therefore, most antiviral discovery efforts are focused on the re-purposing of clinical stage or approved drugs. While emergi... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Network Pharmacology analysis of orally bioavailable SARS-COV2 protease inhibitor shows synergistic targets to improve clinical efficacy
### Response:
| Introduction: Orally bioavailable SARS-CoV2 antiviral drugs will significantly improve the clinical management of the disease. PF07321332 (PF32) one such orally bioavailable SARS-CoV2 protease inhibitor which can be helpful to prevent viral replication in the host. Material: and methods : Hence this study evaluated the... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Data on the Docking of Phytoconstituents of Betel Plant and Matcha Green Tea on SARS-CoV-2
### Response:
| Betel (Piper betle L.) and green tea (Camellia sinensis (L) O. Kuntze) have been used for a long time as traditional medicine. The docking of phytoconstituents contained in betel plant was evaluated against Mpro, and matcha green tea was evaluated against five target receptors of SARS-CoV-2 as follows: spike ectodomain... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Flavonols and dihydroflavonols inhibit the main protease activity of SARS-CoV-2 and the replication of human coronavirus 229E
### Response:
| Since December 2019, the deadly novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused the current COVID-19 pandemic. To date, vaccines are available in the developed countries to prevent the infection of this virus, however, medicines are necessary to help control COVID-19. Human coronavirus 229... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Repurposing of CNS drugs to treat COVID-19 infection: targeting the sigma-1 receptor
### Response:
| The novel coronavirus disease 2019 (COVID-19) is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The escalating number of SARS-CoV-2-infected individuals has conferred the viral spread with the status of global pandemic. However, there are no prophylactic or therapeutic drugs available on the ma... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Structure-Based Drug Design of an Inhibitor of the SARS-CoV-2 (COVID-19) Main Protease Using Free Software: A Tutorial for Students and Scientists
### Response:
| This paper describes the structure-based design of a preliminary drug candidate against COVID-19 using free software and publicly available X-ray crystallographic structures. The goal of this tutorial is to disseminate skills in structure-based drug design and to allow others to unleash their own creativity to design n... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Activity profiling and structures of inhibitor-bound SARS-CoV-2-PLpro protease provides a framework for anti-COVID-19 drug design
### Response:
| In December 2019, the first cases of a novel coronavirus infection causing COVID-19 were diagnosed in Wuhan, China. Viral Papain-Like cysteine protease (PLpro, NSP3) is essential for SARS-CoV-2 replication and represents a promising target for the development of antiviral drugs. Here, we used a combinatorial substrate ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Metallodrug Profiling against SARS‐CoV‐2 Target Proteins Identifies Highly Potent Inhibitors of the S/ACE2 interaction and the Papain‐like Protease PL(pro)
### Response:
| The global spread of the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) has called for an urgent need for dedicated antiviral therapeutics. Metal complexes are commonly underrepresented in compound libraries that are used for screening in drug discovery campaigns, however, there is growing evidence for th... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Frontispiece: Efficient Inhibition of SARS‐CoV‐2 Using Chimeric Antisense Oligonucleotides through RNase L Activation
### Response:
| SARS‐CoV‐2 In their Communication on page 21662, Xinjing Tang et al. report the efficient inhibition of SARS‐CoV‐2 using chimeric antisense oligonucleotides through RNase L activation. |
### Instruction:
Please summerize the given abstract to a title
### Response:
Rapid Inactivation In Vitro of SARS-CoV-2 in Saliva by Black Tea and Green Tea
### Response:
| Saliva plays major roles in the human-to-human transmission of SARS-CoV-2. If the virus in saliva in SARS-CoV-2-infected individuals can be rapidly and efficiently inactivated by a beverage, the ingestion of the beverage may attenuate the spread of virus infection within a population. Recently, we reported that SARS-Co... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Ingavirin might be a promising agent to combat Severe Acute Respiratory Coronavirus 2 (SARS-CoV-2)
### Response:
| The Severe Acute Respiratory Coronavirus 2 (SARS--CoV-2) and Coronavirus Disease-19 (COVID-19) pandemic, caused by the virus, have changed the world in just half a year Lack of effective treatment, coupled with etiology of COVID-19, has resulted in more than 500,000 confirmed deaths at the time of writing, and the glob... |
### Instruction:
Please summerize the given abstract to a title
### Response:
3C-like proteinase from SARS coronavirus catalyzes substrate hydrolysis by a general base mechanism.
### Response:
| SARS 3C-like proteinase has been proposed to be a key enzyme for drug design against SARS. Lack of a suitable assay has been a major hindrance for enzyme kinetic studies and a large-scale inhibitor screen for SARS 3CL proteinase. Since SARS 3CL proteinase belongs to the cysteine protease family (family C3 in clan CB) w... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Screening for a Potential Therapeutic Agent from the Herbal Formula in the 4thEdition of the Chinese National Guidelines for the Initial-Stage Management of COVID-19 via Molecular Docking
### Response:
| Background COVID-19 caused by SARS-CoV-2 infection has been spreading through many countries since the end of 2019 The 4th edition of the national guidelines for the management of COVID-19 provides an herbal formula with 9 herbs for its management Aim of Study We aimed to predict the mechanism of binding of SARS-CoV-2 ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection.
### Response:
| The identification of chemical compounds able to bind specific sites of the human/viral proteins involved in the SARS-CoV-2 infection cycle is a prerequisite to design effective antiviral drugs. Here we conduct a molecular dynamics study with the aim to assess the interactions of ivermectin, an antiparasitic drug with ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Small molecules targeting severe acute respiratory syndrome human coronavirus.
### Response:
| Severe acute respiratory syndrome (SARS) is an infectious disease caused by a novel human coronavirus. Currently, no effective antiviral agents exist against this type of virus. A cell-based assay, with SARS virus and Vero E6 cells, was developed to screen existing drugs, natural products, and synthetic compounds to id... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease
### Response:
| Human ubiquitin carboxyl-terminal hydrolase-2 (USP2) inhibitors, such as thiopurine analogs, have been reported to inhibit SARS-CoV papain-like proteases (PLpro). The PLpro have significant functional implications in the innate immune response during SARS-CoV-2 infection and considered an important antiviral target. Bo... |
### Instruction:
Please summerize the given abstract to a title
### Response:
The SARS-CoV-2 Cytopathic Effect Is Blocked by Lysosome Alkalizing Small Molecules
### Response:
| [Image: see text] Understanding the SARS-CoV-2 virus’ pathways of infection, virus–host–protein interactions, and mechanisms of virus-induced cytopathic effects will greatly aid in the discovery and design of new therapeutics to treat COVID-19. Chloroquine and hydroxychloroquine, extensively explored as clinical agents... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation
### Response:
| We performed molecular dynamics simulation of the dimeric SARS-CoV-2 (severe acute respiratory syndrome corona virus 2) main protease (Mpro) to examine the binding dynamics of small molecular ligands. Seven HIV inhibitors, darunavir, indinavir, lopinavir, nelfinavir, ritonavir, saquinavir, and tipranavir, were used as ... |
### Instruction:
Please summerize the given abstract to a title
### Response:
Identification of (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxy benzoate as multiple inhibitors of SARS-CoV-2 targets;a systematic molecular modelling approach
### Response:
| Coronavirus disease of 2019 (COVID-19) is a zoonotic disease caused by a new severe acute respiratory syndrome (SARS-CoV-2) which has quickly resulted in a pandemic Recent anti-COVID-19 drug discoveries are leaning towards repurposing phytochemicals which have been previously reported for SARS and MERS-CoV outbreaks Ho... |
End of preview. Expand in Data Studio
- Downloads last month
- 2