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Page 1
Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer's disease.
Mukerjee N, Das A, Jawarkar RD, Maitra S, Das P, Castrosanto MA, Paul S, Samad A, Zaki MEA, Al-Hussain SA, Masand VH, Hasan MM, Bukhari SNA, Perveen A, Alghamdi BS, Alexiou A, Kamal MA, Dey A, Malik S, Bakal RL, Abuzenadah AM, Ghosh A, Md Ashraf G. Mukerjee N, et al. Among authors: samad a. Front Aging Neurosci. 2022 Aug 22;14:878276. doi: 10.3389/fnagi.2022.878276. eCollection 2022. Front Aging Neurosci. 2022. PMID: 36072483 Free PMC article.
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: samad 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.
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: samad 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.
QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA.
Jawarkar RD, Bakal RL, Mukherjee N, Ghosh A, Zaki MEA, Al-Hussain SA, Al-Mutairi AA, Samad A, Gandhi A, Masand VH. Jawarkar RD, et al. Among authors: samad a. Molecules. 2022 Jul 25;27(15):4758. doi: 10.3390/molecules27154758. Molecules. 2022. PMID: 35897936 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: samad a. Molecules. 2022 Aug 3;27(15):4951. doi: 10.3390/molecules27154951. Molecules. 2022. PMID: 35956900 Free PMC article.
Pharmacophore Synergism in Diverse Scaffold Clinches in Aurora Kinase B.
Masand VH, Al-Hussain SA, Rathore MM, Thakur SD, Akasapu S, Samad A, Al-Mutairi AA, Zaki MEA. Masand VH, et al. Among authors: samad a. Int J Mol Sci. 2022 Nov 22;23(23):14527. doi: 10.3390/ijms232314527. Int J Mol Sci. 2022. PMID: 36498857 Free PMC article.
478 results