New 2-Chloroimidazo[1,2-a]pyridine induced Schiff bases: Synthesis, characterization, antimicrobial and A-498 and A-549 anticancer activity, molecular modeling, in-silico pharmacokinetics, and DFT studies

Autor: Shailesh S. Gurav, Krishnakant T. Waghmode, Shweta N. Dandekar, Siddheshwar D. Jadhav, Onkar A. Lotlikar, Seema R. Jadhav, Suraj N. Mali, Jayashri G. Naphade
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Chemical Physics Impact, Vol 8, Iss , Pp 100494- (2024)
Druh dokumentu: article
ISSN: 2667-0224
DOI: 10.1016/j.chphi.2024.100494
Popis: The novel 1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(substitutedphenyl) methanimines have been synthesized and characterized by spectral (IR, MS, 1H, and 13C NMR) and elemental analysis. Molecular docking studies were conducted with three cancer target proteins (PDB IDs: 1M17, 2OF4, and 3LCK) and assorted microbial target proteins (1KZN, 2XCT, 1D7U, 1BAG, and 1EA1) to explore their binding interactions. Further in-silico target prediction study suggested a 26.7 % probability that VIf acts on kinases. The synthesized analogs were subjected to in-vitro anticancer activity assessments against A-498 (kidney carcinoma) and A-549 (lung carcinoma) cell lines and compound VIf exhibited good inhibition (GI50
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