Discovery of anti-MERS-CoV small covalent inhibitors through pharmacophore modeling, covalent docking and molecular dynamics simulation

Middle east respiratory syndrome coronavirus (MERS-CoV) is a fatal pathogen that poses a serious health risk worldwide and especially in the middle east countries. Targeting the MERS-CoV 3-chymotrypsin-like cysteine protease (3CL(pro)) with small covalent inhibitors is a significant approach to inhi...

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Bibliographic Details
Published in:J Mol Liq
Main Authors: Alamri, Mubarak A., Tahir ul Qamar, Muhammad, Afzal, Obaid, Alabbas, Alhumaidi B., Riadi, Yassine, Alqahtani, Safar M.
Format: Artigo
Language:Inglês
Published: Elsevier B.V. 2021
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Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC8040153/
https://ncbi.nlm.nih.gov/pubmed/33867606
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.molliq.2021.115699
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