02519nas a2200301   4500008004100000022001400041245009900055210006900154260000800223300001400231490000700245520150600252653002701758653002601785653002501811653003001836653004201866653003001908100001901938700001701957700002201974700001701996700001902013700001902032700002002051700001702071856012902088       2025                        eng d  a1756-891900aCoumarin hybrids: dual-target candidates for future antimicrobial and antitubercular therapies0 aCoumarin hybrids dualtarget candidates for future antimicrobial   cMAY  a1131-11420 v173 a<p>
	Aims: This study aimed to synthesize, characterize, and evaluate the antimicrobial and antitubercular activities of two novel series of coumarin-based derivatives (Series 5 and Series 9), focusing on their structure-activity relationship (SAR) and molecular docking interactions with key bacterial enzymes. Materials &amp; methods: Series 5 (5a-5j) and Series 9 (9a-9t) compounds were synthesized and characterized using spectroscopic techniques. Their antimicrobial and antitubercular activities were evaluated against Mycobacterium tuberculosis, Staphylococcus aureus, Bacillus subtilis, and E. coli. IC50 values were determined, and molecular docking studies were conducted to assess binding interactions with M. tuberculosis enoyl-ACP reductase (InhA) and E. coli DNA gyrase B. Results: Series 5 compounds exhibited moderate activity, with 5f, 5 g, 5i, and 5j showing notable inhibition. Series 9 derivatives displayed superior dual-target inhibition, with 9t, 9c, 9a, 9b, and 9p achieving &gt;90% inhibition against S. aureus and B. subtilis. The lowest IC50 against M. tuberculosis was observed for 9c (1.50 mu g/mL), followed by 9a (2.84 mu g/mL) and 9b (2.73 mu g/mL). Molecular docking confirmed strong binding interactions, correlating with observed biological activities. Conclusions: Series 9 compounds, particularly 9t, 9c, and 9a, demonstrate high potential as dual-target antimicrobial drug candidates. Further optimization may enhance their therapeutic efficacy. [GRAPHICS]</p>
10aAntimicrobial activity10aantitubercular agents10aCoumarin derivatives10aMolecular docking studies10astructure-activity relationship (SAR)10athiophene-based compounds1 aBavishi, Abhay1 aVala, Hardev1 aThakrar, Shailesh1 aSwami, Sagar1 aSarkar, Dhiman1 aShukla, Rushit1 aKamdar, Jignesh1 aShah, Anamik  uhttps://library.ncl.res.in/content/coumarin-hybrids-dual-target-candidates-future-antimicrobial-and-antitubercular-therapies