المؤلفون: Souvik Banerjee (2015404), Shalini Yadav (6246062), Sourav Banerjee (3337731), Sayo O. Fakayode (1691464), Jyothi Parvathareddy (331384), Walter Reichard (11585491), Surekha Surendranathan (11585494), Foyez Mahmud (1497745), Ryan Whatcott (11585497), Joshua Thammathong (11585500), Bernd Meibohm (110267), Duane D. Miller (238777), Colleen B. Jonsson (132961), Kshatresh Dutta Dubey (1583317)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Biotechnology, Cancer, Mental Health, Infectious Diseases, Virology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, md simulations identified, impressively high accuracy, find different indications, binding affinity significantly, acute viral pneumonia, rational drug design, 10 drug candidates, based drug design, drug bank database, based virtual screening, promising virtual hits, pro , 50 , 19 antiviral therapeutics, drug bank, based screening, promising hits, vitro <

Relation: https://figshare.com/articles/journal_contribution/Drug_Repurposing_to_Identify_Nilotinib_as_a_Potential_SARS-CoV_2_Main_Protease_Inhibitor_Insights_from_a_Computational_and_i_In_Vitro_i_Study/16836841

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00524.s001

المؤلفون: Tushar, Joshi, Priyanka, Sharma, Shalini, Mathpal, Tanuja, Joshi, Priyanka, Maiti, Mahesha, Nand, Veena, Pande, Subhash, Chandra

المصدر: Molecular Diversity

مصطلحات موضوعية: SARS-CoV-2, Drug repurposing, COVID-19, 3CLpro, Deep learning, Molecular Dynamics Simulation, Molecular dynamics, Antiviral Agents, COVID-19 Drug Treatment, Molecular Docking Simulation, Humans, Protease Inhibitors, Original Article, Drug bank database, Pandemics, Coronavirus 3C Proteases

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::a9992f2aa05f2727b0d1a042f3fe1ee1
https://pubmed.ncbi.nlm.nih.gov/34637068