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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. Among authors: sarangi ak. 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.
The microbiota-related coinfections in COVID-19 patients: a real challenge.
Mohapatra RK, Dhama K, Mishra S, Sarangi AK, Kandi V, Tiwari R, Pintilie L. Mohapatra RK, et al. Among authors: sarangi ak. Beni Suef Univ J Basic Appl Sci. 2021;10(1):47. doi: 10.1186/s43088-021-00134-7. Epub 2021 Aug 21. Beni Suef Univ J Basic Appl Sci. 2021. PMID: 34458380 Free PMC article. Review.
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. Among authors: sarangi ak. 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.
SARS-CoV-2 and its variants of concern including Omicron: A never ending pandemic.
Mohapatra RK, Kuppili S, Kumar Suvvari T, Kandi V, Behera A, Verma S, Kudrat-E-Zahan, Biswal SK, Al-Noor TH, El-Ajaily MM, Sarangi AK, Dhama K. Mohapatra RK, et al. Among authors: sarangi ak. Chem Biol Drug Des. 2022 May;99(5):769-788. doi: 10.1111/cbdd.14035. Epub 2022 Mar 8. Chem Biol Drug Des. 2022. PMID: 35184391 Free PMC article. Review.
35 results