02341nas a2200301   4500008004100000022001400041245013600055210006900191260000800260300001400268490000700282520135600289653000601645653000601651653001501657653002001672653001801692653001601710653001801726100002401744700003001768700002401798700002401822700002301846700001901869700002601888856012501914       2022                        eng d  a1040-663800aTetrazoloquinoline-1,2,3-triazole derivatives as antimicrobial agents: synthesis, biological evaluation and molecular docking study0 aTetrazoloquinoline123triazole derivatives as antimicrobial agent  cSEP  a1920-19410 v423 a<p>
	In search of new active molecules, a small focused library of tetrazoloquinoline-based 1,2,3-triazoles has been efficiently preparedviaclick chemistry approach. Several derivatives were found to be exhibiting promising antimicrobial and antioxidant activity characterized by their lower minimum inhibitory concentration values. All the synthesized compounds exhibited excellent antibacterial activity against Gram negative bacteriaE. coliandF. devoransand antifungal activity againstC. albicansandA. niger. Further, these compounds were tested for their antitubercular activity against dormantMTB H37Raand dormantM. bovis BCGusing XRMA assay protocol and showed no significant activity. Also, the synthesized compounds were found to have potential antioxidant activity with IC(50)range = 12.48-50.20 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against the active site of fungalC. albicansenzyme P450 cytochrome lanosterol 14 alpha-demethylase, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of thein vitroandin silicostudy suggest that the triazole-incorporated tetrazoloquinolines may possess the ideal structural requirements for further development of novel therapeutic agents.</p>
10a110a210a3-Triazole10aADME prediction10aAntimicrobial10aAntioxidant10aDocking study1 aShaikh, Mubarak, H.1 aSubhedar, Dnyaneshwar, D.1 aAkolkar, Satish, V.1 aNagargoje, Amol, A.1 aKhedkar, Vijay, M.1 aSarkar, Dhiman1 aShingate, Bapurao, B.  uhttps://library.ncl.res.in/content/tetrazoloquinoline-123-triazole-derivatives-antimicrobial-agents-synthesis-biological02372nas a2200277   4500008004100000022001400041245013700055210006900192260000800261300001200269490000700281520140800288653000601696653002101702653002801723653002201751653002901773653001701802100003001819700002401849700002401873700001901897700002301916700002601939856012901965       2025                        eng d  a1385-272800a[DBUH][HSO4]-catalyzed solvent-free synthesis of 1,5-benzodiazepine derivatives: bioevaluation and in silico molecular docking study0 aDBUHHSO4catalyzed solventfree synthesis of 15benzodiazepine deri  cJAN  a226-2370 v293 a<p>
	Here, we report the solvent-free one-pot multicomponent synthesis of 4-substituted-1,5-benzodiazepine derivatives from O-phenylenediamine, aromatic aldehydes, and dimedone using [DBUH][HSO4] as a catalyst in excellent yields. This process was carried out in search of a reusable, easily accessible, affordable, and efficient catalyst. 1,5-Benzodiazepines demonstrate a new family of good inhibitors with potent anti-mycobacterial properties. The most promising compounds in the present series are 4c, 4i, and 4l which showed excellent activity and inhibited the growth of both MTB H37Ra and M. bovis BCG strains with lower MICs. The most active compounds were further studied for their cytotoxicity against cell lines MCF-7, A549, HCT116, and THP-1 by MTT assays and the compounds were found to be non-toxic. The fact that none of these compounds work against either Gram-positive or Gram-negative bacteria suggests that they are only effective against MTB. The in silico docking of the molecules against mycobacterial enoyl reductase, InhA enzyme could provide well-clustered solutions and have given valuable insights into the thermodynamic elements governing the binding affinities. The findings of this investigation unmistakably point to the discovery of extremely specific and selective MTB inhibitors, which can now be investigated further in search of possible anti-tubercular drugs.</p>
10a110a5-benzodiazepine10aAntitubercular activity10aMolecular docking10amulticomponent reactions10a[DBUH][HSO4]1 aSubhedar, Dnyaneshwar, D.1 aShaikh, Mubarak, H.1 aNagargoje, Amol, A.1 aSarkar, Dhiman1 aKhedkar, Vijay, M.1 aShingate, Bapurao, B.  uhttps://library.ncl.res.in/content/dbuhhso4-catalyzed-solvent-free-synthesis-15-benzodiazepine-derivatives-bioevaluation-and