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Synthesis, structure elucidation, Hirshfeld surface analysis, DFT, and molecular docking of new 6-bromo-imidazo[4,5-b]pyridine derivatives as potential tyrosyl-tRNA synthetase inhibitors.
Jabri Z, Thiruvalluvar AA, Sghyar R, Mague JT, Sabir S, Rodi YK, Anouar EH, Misbahi K, Sebbar NK, Essassi EM. Jabri Z, et al. Among authors: essassi em. J Biomol Struct Dyn. 2023;41(21):12347-12362. doi: 10.1080/07391102.2023.2175258. Epub 2023 Feb 6. J Biomol Struct Dyn. 2023. PMID: 36744539
2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methyl-phen-yl)acetamide.
Missioui M, Alsubari A, Mague JT, Essassi EM, Ramli Y. Missioui M, et al. Among authors: essassi em. IUCrdata. 2023 Apr 21;8(Pt 4):x230357. doi: 10.1107/S2414314623003577. eCollection 2023 Apr. IUCrdata. 2023. PMID: 37151206 Free PMC article.
Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.
Ait Elmachkouri Y, Irrou E, Thiruvalluvar AA, Anouar EH, Varadharajan V, Ouachtak H, Mague JT, Sebbar NK, Essassi EM, Labd Taha M. Ait Elmachkouri Y, et al. Among authors: essassi em. J Biomol Struct Dyn. 2023 Oct 10:1-19. doi: 10.1080/07391102.2023.2268187. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37817543
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer.
Abad N, Al-Ostoot FH, Ashraf S, Chkirate K, Aljohani MS, Alharbi HY, Buhlak S, El Hafi M, Van Meervelt L, Al-Maswari BM, Essassi EM, Ramli Y. Abad N, et al. Among authors: essassi em. Heliyon. 2023 Oct 20;9(11):e21312. doi: 10.1016/j.heliyon.2023.e21312. eCollection 2023 Nov. Heliyon. 2023. PMID: 37920528 Free PMC article.
Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.
Mustaphi NEH, Aboutofil FE, El Houssni L, Saif E, Mague JT, Chkirate K, Essassi EM. Mustaphi NEH, et al. Among authors: essassi em. Acta Crystallogr E Crystallogr Commun. 2024 Mar 26;80(Pt 4):430-434. doi: 10.1107/S2056989024002664. eCollection 2024 Mar 1. Acta Crystallogr E Crystallogr Commun. 2024. PMID: 38584741 Free PMC article.
88 results