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Screening of Potent Phytochemical Inhibitors Against SARS-CoV-2 Main Protease: An Integrative Computational Approach.
Mahmud S, Hasan MR, Biswas S, Paul GK, Afrose S, Mita MA, Sultana Shimu MS, Promi MM, Hani U, Rahamathulla M, Khan MA, Zaman S, Uddin MS, Rahmatullah M, Jahan R, Alqahtani AM, Saleh MA, Emran TB. Mahmud S, et al. Among authors: emran tb. Front Bioinform. 2021 Oct 5;1:717141. doi: 10.3389/fbinf.2021.717141. eCollection 2021. Front Bioinform. 2021. PMID: 36303755 Free PMC article.
A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation.
Rakib A, Nain Z, Sami SA, Mahmud S, Islam A, Ahmed S, Siddiqui ABF, Babu SMOF, Hossain P, Shahriar A, Nainu F, Emran TB, Simal-Gandara J. Rakib A, et al. Among authors: emran tb. Brief Bioinform. 2021 Mar 22;22(2):1476-1498. doi: 10.1093/bib/bbab045. Brief Bioinform. 2021. PMID: 33623995 Free PMC article.
How to face COVID-19: proposed treatments based on remdesivir and hydroxychloroquine in the presence of zinc sulfate. Docking/DFT/POM structural analysis.
Ben Hadda T, Berredjem M, Almalki FA, Rastija V, Jamalis J, Emran TB, Abu-Izneid T, Esharkawy E, Rodriguez LC, Alqahtani AM. Ben Hadda T, et al. Among authors: emran tb. J Biomol Struct Dyn. 2022;40(19):9429-9442. doi: 10.1080/07391102.2021.1930161. Epub 2021 May 25. J Biomol Struct Dyn. 2022. PMID: 34033727 Free PMC article.
378 results