01948nas a2200253   4500008004100000022001400041245013400055210006900189260000800258300001400266490000700280520102600287653002901313653002201342653002701364653003001391653002001421100002601441700002301467700002701490700002401517700002601541856012701567       2023                        eng d  a1381-199100aDesign and synthesis of novel quinazolinyl-bisspirooxindoles as potent anti-tubercular agents: an ultrasound-promoted methodology0 aDesign and synthesis of novel quinazolinylbisspirooxindoles as p  cJUN  a1427-14360 v273 a<p>
	The essential need for the potent anti-tubercular (anti-TB) agents with high selectivity and safety profile prompted us to synthesize a new series of quinazolinyl-bisspirooxindoles. The title compounds were synthesized by one-pot multicomponent [3 +2] cycloaddition reaction under ultrasonication. Further, in vitro anti-TB activity was evaluated against Mycobacterium tuberculosis H37Rv. Among the screened compounds, two compounds (4q and 4x) showed potent activity with MIC value 1.56 mu g/mL and four compounds exhibited significant activity (MIC =3.125 mu g/mL), and also cytotoxicity studies against RAW 264.7 cell lines reveal that most active compounds were less toxic to humans. In addition, in order to demonstrate the inhibitory properties, molecular docking studies were carried out and the results showed that the target compounds have good binding energy and better binding affinity within the active pocket, thus these compounds may consider to be as potent inhibitors toward selective targets.</p>
10aanti-tubercular activity10abisspirooxindoles10aCytotoxicity screening10aMolecular docking studies10aultrasonication1 aAllaka, Bhargava, Sai1 aBasavoju, Srinivas1 aRekha, Estharla, Madhu1 aSriram, Dharmarajan1 aKrishna, Gamidi, Rama  uhttps://library.ncl.res.in/content/design-and-synthesis-novel-quinazolinyl-bisspirooxindoles-potent-anti-tubercular-agents02519nas 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