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Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies.
Mohapatra RK, Dhama K, El-Arabey AA, Sarangi AK, Tiwari R, Emran TB, Azam M, Al-Resayes SI, Raval MK, Seidel V, Abdalla M. Mohapatra RK, et al. J King Saud Univ Sci. 2021 Dec;33(8):101637. doi: 10.1016/j.jksus.2021.101637. Epub 2021 Oct 7. J King Saud Univ Sci. 2021. PMID: 34642560 Free PMC article.
Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity analysis.
Mohapatra RK, Perekhoda L, Azam M, Suleiman M, Sarangi AK, Semenets A, Pintilie L, Al-Resayes SI. Mohapatra RK, et al. J King Saud Univ Sci. 2021 Mar;33(2):101315. doi: 10.1016/j.jksus.2020.101315. Epub 2020 Dec 27. J King Saud Univ Sci. 2021. PMID: 33390681 Free PMC article.
COVID-19, WHO guidelines, pedagogy, and respite.
Mohapatra RK, Mishra S, Azam M, Dhama K. Mohapatra RK, et al. Open Med (Wars). 2021 Mar 29;16(1):491-493. doi: 10.1515/med-2021-0266. eCollection 2021. Open Med (Wars). 2021. PMID: 33817327 Free PMC article. No abstract available.
Role of Inflammatory Cytokines in COVID-19 Patients: A Review on Molecular Mechanisms, Immune Functions, Immunopathology and Immunomodulatory Drugs to Counter Cytokine Storm.
Rabaan AA, Al-Ahmed SH, Muhammad J, Khan A, Sule AA, Tirupathi R, Mutair AA, Alhumaid S, Al-Omari A, Dhawan M, Tiwari R, Sharun K, Mohapatra RK, Mitra S, Bilal M, Alyami SA, Emran TB, Moni MA, Dhama K. Rabaan AA, et al. Among authors: mohapatra rk. Vaccines (Basel). 2021 Apr 29;9(5):436. doi: 10.3390/vaccines9050436. Vaccines (Basel). 2021. PMID: 33946736 Free PMC article. Review.
145 results