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In silico development of potential InhA inhibitors through 3D-QSAR analysis, virtual screening and molecular dynamics.
Bhaskar V, Kumar S, Sujathan Nair A, Gokul S, Rajappan Krishnendu P, Benny S, Amrutha CT, Manisha DS, Bhaskar V, Mary Zachariah S, Aneesh TP, Abdelgawad MA, Ghoneim MM, Pappachen LK, Nicolotti O, Mathew B. Bhaskar V, et al. Among authors: abdelgawad ma. J Biomol Struct Dyn. 2025 Feb;43(3):1329-1351. doi: 10.1080/07391102.2023.2291549. Epub 2023 Dec 8. J Biomol Struct Dyn. 2025. PMID: 38064315
Design, Synthesis and Biological Evaluation of New HDAC1 and HDAC2 Inhibitors Endowed with Ligustrazine as a Novel Cap Moiety.
Al-Sanea MM, Gotina L, Mohamed MF, Grace Thomas Parambi D, Gomaa HAM, Mathew B, Youssif BGM, Alharbi KS, Elsayed ZM, Abdelgawad MA, Eldehna WM. Al-Sanea MM, et al. Among authors: abdelgawad ma. Drug Des Devel Ther. 2020 Feb 4;14:497-508. doi: 10.2147/DDDT.S237957. eCollection 2020. Drug Des Devel Ther. 2020. PMID: 32103894 Free PMC article.
Novel Phenolic Compounds as Potential Dual EGFR and COX-2 Inhibitors: Design, Semisynthesis, in vitro Biological Evaluation and in silico Insights.
Abdelgawad MA, Musa A, Almalki AH, Alzarea SI, Mostafa EM, Hegazy MM, Mostafa-Hedeab G, Ghoneim MM, Parambi DGT, Bakr RB, Al-Muaikel NS, Alanazi AS, Alharbi M, Ahmad W, Bukhari SNA, Al-Sanea MM. Abdelgawad MA, et al. Drug Des Devel Ther. 2021 May 31;15:2325-2337. doi: 10.2147/DDDT.S310820. eCollection 2021. Drug Des Devel Ther. 2021. PMID: 34103896 Free PMC article.
Strawberry and Ginger Silver Nanoparticles as Potential Inhibitors for SARS-CoV-2 Assisted by In Silico Modeling and Metabolic Profiling.
Al-Sanea MM, Abelyan N, Abdelgawad MA, Musa A, Ghoneim MM, Al-Warhi T, Aljaeed N, Alotaibi OJ, Alnusaire TS, Abdelwahab SF, Helmy A, Abdelmohsen UR, Youssif KA. Al-Sanea MM, et al. Among authors: abdelgawad ma. Antibiotics (Basel). 2021 Jul 6;10(7):824. doi: 10.3390/antibiotics10070824. Antibiotics (Basel). 2021. PMID: 34356745 Free PMC article.
159 results