ArticleArchives of medical science : AMS2020
State-of-the-art tools to identify druggable protein ligand of SARS-CoV-2.
Article in Archives of medical science : AMS, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed, 27 citations in OpenAlex.
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- Identification of natural compounds (proanthocyanidin and rhapontin) as high-affinity inhibitors of SARS-CoV-2 Mpro and PLpro using computational strategies.Archives of medical science : AMS · 2024Article
- Bioinformatics approach for the construction of multiple epitope vaccine against omicron variant of SARS-CoV-2.Scientific reports · 2022Article
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Stereoselective Synthesis of Nojirimycin α-ACS omega · 2022Article
- Ethnicity and other COVID-19 death risk factors in Mexico.Archives of medical science : AMS · 2022Article
- Novel Feather Degrading Keratinases fromMicroorganisms · 2022Article
- In vitro Anti SARS-CoV-2 Activity and Docking Analysis ofInfection and drug resistance · 2022Article
- Genome composition and genetic characterization of SARS-CoV-2.Saudi journal of biological sciences · 2021Review
- A molecular docking study of EGCG and theaflavin digallate with the druggable targets of SARS-CoV-2.Computers in biology and medicine · 2021Article
- Interferon-inducer antivirals: Potential candidates to combat COVID-19.International immunopharmacology · 2021Review
- Bioinformatics Analysis Unveils Certain Mutations Implicated in Spike Structure Damage and Ligand-Binding Site of Severe Acute Respiratory Syndrome Coronavirus 2.Bioinformatics and biology insights · 2021Article
- "Celebrating old age": an obsolete expression during the COVID-19 pandemic? Medical, social, psychological, and religious consequences of home isolation and loneliness among the elderly.Archives of medical science : AMS · 2021Article
- Serological testing for SARS-CoV-2 in Bosnia and Herzegovina: first report.Archives of medical science : AMS · 2021Article
- Virtual screening for small molecular non-covalent binders of the SARS-CoV-2 main protease.Archives of medical science : AMS · 2021Article
- Structure-Based Virtual Screening and Biochemical Validation to Discover a Potential Inhibitor of the SARS-CoV-2 Main Protease.ACS omega · 2020Article
- State-of-the-art tools unveil potent drug targets amongst clinically approved drugs to inhibit helicase in SARS-CoV-2.Archives of medical science : AMS · 2020Article
- A preliminary study of coronavirus disease 2019 in China: the impact of cardiovascular disease on death risk.Archives of medical sciences. Atherosclerotic diseases · 2020Article
Corrections and comments
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
introductionThe SARS-CoV-2 (previously 2019-nCoV) outbreak in Wuhan, China and other parts of the world affects people and spreads coronavirus disease 2019 (COVID-19) through human-to-human contact, with a mortality rate of > 2%. There are no approved drugs or vaccines yet available against SARS-CoV-2. MATERIAL AND
methodsState-of-the-art tools based on in-silico methods are a cost-effective initial approach for identifying appropriate ligands against SARS-CoV-2. The present study developed the 3D structure of the envelope and nucleocapsid phosphoprotein of SARS-CoV-2, and molecular docking analysis was done against various ligands.
resultsThe highest log octanol/water partition coefficient, high number of hydrogen bond donors and acceptors, lowest non-bonded interaction energy between the receptor and the ligand, and high binding affinity were considered for the best ligand for the envelope (mycophenolic acid: log
conclusionsThe study identifies the most potent compounds against the SARS-CoV-2 envelope and nucleocapsid phosphoprotein through state-of-the-art tools based on an in-silico approach. A combination of these two ligands could be the best option to consider for further detailed studies to develop a drug for treating patients infected with SARS-CoV-2, COVID-19.
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