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QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches.
Jawarkar RD, Bakal RL, Zaki MEA, Al-Hussain S, Ghosh A, Gandhi A, Mukerjee N, Samad A, Masand VH, Lewaa I. Jawarkar RD, et al. Among authors: ghosh a. Arab J Chem. 2022 Jan;15(1):103499. doi: 10.1016/j.arabjc.2021.103499. Epub 2021 Oct 19. Arab J Chem. 2022. PMID: 34909066 Free PMC article.
COVID-19 diagnostic methods in developing countries.
Maniruzzaman M, Islam MM, Ali MH, Mukerjee N, Maitra S, Kamal MA, Ghosh A, Castrosanto MA, Alexiou A, Ashraf GM, Tagde P, Rahman MH. Maniruzzaman M, et al. Among authors: ghosh a. Environ Sci Pollut Res Int. 2022 Jul;29(34):51384-51397. doi: 10.1007/s11356-022-21041-z. Epub 2022 May 27. Environ Sci Pollut Res Int. 2022. PMID: 35619009 Free PMC article. Review.
Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.
Bakal RL, Jawarkar RD, Manwar JV, Jaiswal MS, Ghosh A, Gandhi A, Zaki MEA, Al-Hussain S, Samad A, Masand VH, Mukerjee N, Nasir Abbas Bukhari S, Sharma P, Lewaa I. Bakal RL, et al. Among authors: ghosh a. Saudi Pharm J. 2022 Jun;30(6):693-710. doi: 10.1016/j.jsps.2022.04.003. Epub 2022 Apr 7. Saudi Pharm J. 2022. PMID: 35812153 Free PMC article.
Discovery of Novel HSP27 Inhibitors as Prospective Anti-Cancer Agents Utilizing Computer-Assisted Therapeutic Discovery Approaches.
Umar HI, Ajayi AT, Mukerjee N, Aborode AT, Hasan MM, Maitra S, Bello RO, Alabere HO, Sanusi AA, Awolaja OO, Alshehri MM, Chukwuemeka PO, Aljarba NH, Alkahtani S, Malik S, Alexiou A, Ghosh A, Rahman MH. Umar HI, et al. Among authors: ghosh a. Cells. 2022 Aug 4;11(15):2412. doi: 10.3390/cells11152412. Cells. 2022. PMID: 35954254 Free PMC article.
QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
Jawarkar RD, Sharma P, Jain N, Gandhi A, Mukerjee N, Al-Mutairi AA, Zaki MEA, Al-Hussain SA, Samad A, Masand VH, Ghosh A, Bakal RL. Jawarkar RD, et al. Among authors: ghosh a. Molecules. 2022 Aug 3;27(15):4951. doi: 10.3390/molecules27154951. Molecules. 2022. PMID: 35956900 Free PMC article.
7,502 results