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Repurposing of phytomedicine-derived bioactive compounds with promising anti-SARS-CoV-2 potential: Molecular docking, MD simulation and drug-likeness/ADMET studies.
Rudrapal M, Gogoi N, Chetia D, Khan J, Banwas S, Alshehri B, Alaidarous MA, Laddha UD, Khairnar SJ, Walode SG. Rudrapal M, et al. Among authors: walode sg. Saudi J Biol Sci. 2022 Apr;29(4):2432-2446. doi: 10.1016/j.sjbs.2021.12.018. Epub 2021 Dec 13. Saudi J Biol Sci. 2022. PMID: 34924801 Free PMC article.
Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations.
Rudrapal M, Celik I, Khan J, Ansari MA, Alomary MN, Yadav R, Sharma T, Tallei TE, Pasala PK, Sahoo RK, Khairnar SJ, Bendale AR, Zothantluanga JH, Chetia D, Walode SG. Rudrapal M, et al. Among authors: walode sg. J King Saud Univ Sci. 2022 Apr;34(3):101826. doi: 10.1016/j.jksus.2022.101826. Epub 2022 Jan 10. J King Saud Univ Sci. 2022. PMID: 35035181 Free PMC article.
Cerebroprotective effect of Aloe Emodin: In silico and in vivo studies.
Pasala PK, Abbas Shaik R, Rudrapal M, Khan J, Alaidarous MA, Jagdish Khairnar S, Bendale AR, Naphade VD, Kumar Sahoo R, Zothantluanga JH, Walode SG. Pasala PK, et al. Among authors: walode sg. Saudi J Biol Sci. 2022 Feb;29(2):998-1005. doi: 10.1016/j.sjbs.2021.09.077. Epub 2021 Oct 8. Saudi J Biol Sci. 2022. PMID: 35197769 Free PMC article.