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Phytochemical Compound Screening to Identify Novel Small Molecules against Dengue Virus: A Docking and Dynamics Study.
Shimu MSS, Mahmud S, Tallei TE, Sami SA, Adam AA, Acharjee UK, Paul GK, Emran TB, Zaman S, Uddin MS, Saleh MA, Alshehri S, Ghoneim MM, Alruwali M, Obaidullah AJ, Jui NR, Kim J, Kim B. Shimu MSS, et al. Among authors: zaman s. Molecules. 2022 Jan 20;27(3):653. doi: 10.3390/molecules27030653. Molecules. 2022. PMID: 35163918 Free PMC article.
Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets.
Mahmud S, Mita MA, Biswas S, Paul GK, Promi MM, Afrose S, Hasan R, Shimu SS, Zaman S, Uddin S, Tallei TE, Emran TB, Saleh A. Mahmud S, et al. Among authors: zaman s. Expert Rev Clin Pharmacol. 2021 Oct;14(10):1305-1315. doi: 10.1080/17512433.2021.1959318. Epub 2021 Aug 5. Expert Rev Clin Pharmacol. 2021. PMID: 34301158
Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study.
Mahmud S, Biswas S, Kumar Paul G, Mita MA, Afrose S, Robiul Hasan M, Sharmin Sultana Shimu M, Uddin MAR, Salah Uddin M, Zaman S, Kaderi Kibria KM, Arif Khan M, Bin Emran T, Abu Saleh M. Mahmud S, et al. Among authors: zaman s. Arab J Chem. 2021 Sep;14(9):103315. doi: 10.1016/j.arabjc.2021.103315. Epub 2021 Jul 14. Arab J Chem. 2021. PMID: 34909064 Free PMC article.
Computational screening and biochemical analysis of Pistacia integerrima and Pandanus odorifer plants to find effective inhibitors against Receptor-Binding domain (RBD) of the spike protein of SARS-Cov-2.
Kumar Paul G, Mahmud S, Aldahish AA, Afroze M, Biswas S, Briti Ray Gupta S, Hasan Razu M, Zaman S, Salah Uddin M, Nahari MH, Merae Alshahrani M, Abdul Rahman Alshahrani M, Khan M, Abu Saleh M. Kumar Paul G, et al. Among authors: zaman s. Arab J Chem. 2022 Feb;15(2):103600. doi: 10.1016/j.arabjc.2021.103600. Epub 2021 Dec 1. Arab J Chem. 2022. PMID: 34909068 Free PMC article.
phytochemdb: a platform for virtual screening and computer-aided drug designing.
Mahmud S, Paul GK, Biswas S, Kazi T, Mahbub S, Mita MA, Afrose S, Islam A, Ahaduzzaman S, Hasan R, Shimu SS, Promi MM, Shehab MN, Rahman E, Sujon KM, Alom W, Modak A, Zaman S, Uddin S, Emran TB, Islam S, Saleh A. Mahmud S, et al. Among authors: zaman s. Database (Oxford). 2022 Jan 29;2022(2022):baac002. doi: 10.1093/database/baac002. Database (Oxford). 2022. PMID: 35234849 Free PMC article.
1,125 results