Identification of some novel oxazine substituted 9-anilinoacridines as SARS-CoV-2 inhibitors for COVID-19 by molecular docking, free energy calculation and molecular dynamics studies

Coronavirus disease (COVID-19), a life-threatening disease, is caused by SARS-CoV-2. The targeted therapeutics of small molecules helps the scientific community to fight against SARS-CoV-2. In this article, some oxazine substituted 9-anilinoacridines (A1–A48) was designed by docking, MM-GBSA and mol...

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Vydáno v:J Biomol Struct Dyn
Hlavní autoři: Rajagopal, Kalirajan, Varakumar, Potlapati, Aparna, Baliwada, Byran, Gowramma, Jupudi, Srikanth
Médium: Artigo
Jazyk:Inglês
Vydáno: Taylor & Francis 2020
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Research Article
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7441781/
https://ncbi.nlm.nih.gov/pubmed/32720578
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1798285
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