20.500.12556/DKUM-93640 Synthesis, antimycobacterial activity, and computational insight of novel 1,4-benzoxazin-2-one derivatives as promising candidates against multidrug-resistant mycobacterium tuberculosis In the search for new antitubercular agents, a series of 1,4-benzoxazinone-based compounds is designed, synthesized, and evaluated. These molecules show potent antimycobacterial activity, with a minimum inhibitory concentration between 2 and 8 μg mL−1. This interesting profile includes activity against several drug-resistant strains and minimal cytotoxicity against mammalian Vero cells. Structural similarities with analogs from the literature are reinforced by molecular docking and molecular dynamics simulations, suggesting that inhibition of the menaquinone-B enzyme as a potential mechanism of action. In addition, the active compounds exhibit favorable predicted Absorption, Distribuition, Metabolism, and Excretion (ADME) properties, indicating their potential for oral administration in humans. antimycobacterial benzoxazinones cytotoxicities dockings menaquinone-B minimum inhibitory concentrations antimikrobno citotoksini inhibitorji true false true Wiley Angleški jezik Slovenski jezik https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cmdc.202500073 © 2025 The Authors Članek v reviji 2025-07-09 08:27:23 2025-07-09 08:27:23 2025-07-10 03:36:34 0000-00-00 00:00:00 2025 0 0 11 str. First published: 14 May 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 2025-01-28 2025-05-12 2025-05-14 579.6 241809155 10.1002/cmdc.202500073 1860-7187 ChemMedChem_-_2025_-_Mamolo_-_Synthesis__Antimycobacterial_Activity__and_Computational_Insight_of_Novel_1.pdf ChemMedChem_-_2025_-_Mamolo_-_Synthesis__Antimycobacterial_Activity__and_Computational_Insight_of_Novel_1.pdf 1 692D0921DC84033223AB466968980221 b52aadb2838fcd92dffdbdcdf87c7edb41270c451139871a72679435d475139e 7c1ea819-5c8e-11f0-8f2d-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=193385 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0