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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: thiruvalluvar aa. 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
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: thiruvalluvar aa. 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, stereochemical and Hirshfeld surface analysis of trans-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ2N,N')nickel(II) dichloride dihydrate.
Akila S, Vidhyasagar T, Thiruvalluvar AA, Rajeswari K. Akila S, et al. Among authors: thiruvalluvar aa. Acta Crystallogr E Crystallogr Commun. 2023 Sep 29;79(Pt 10):967-971. doi: 10.1107/S2056989023008538. eCollection 2023 Oct 1. Acta Crystallogr E Crystallogr Commun. 2023. PMID: 37817946 Free PMC article.
tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl-ate.
Thiruvalluvar AA, Kusanur R, Sridharan M. Thiruvalluvar AA, et al. IUCrdata. 2021 Jul 9;6(Pt 7):x210694. doi: 10.1107/S2414314621006945. eCollection 2021 Jul. IUCrdata. 2021. PMID: 36340663 Free PMC article.