02411nas a2200289   4500008004100000022001400041245014300055210006900198260008300267300001200350490000700362520141000369653000601779653000601785653001701791653002701808653001701835653001301852653001301865653000901878100001801887700002101905700002001926700002301946700002101969856013101990       2016                        eng d  a1054-252300aSynthesis, biological valuation, and QSAR studies of novel pyrazole bearing pyridyl oxadiazole analogues as potential antimicrobial agents0 aSynthesis biological valuation and QSAR studies of novel pyrazol  a233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USAbSPRINGER BIRKHAUSERcAPR  a712-7270 v253 a<p>A new series of 1-(2-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4 -oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-l) were synthesized by a simple and efficient synthetic protocol. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR and Mass spectroscopy. The resulting structural diversity was screened for its antimicrobial activity the following bacterial and fungal strains: two Gram-positive bacteria [Staphylococcus aureus (MTCC-96), Streptococcus pyogenes (MTCC-442)], two Gram-negative bacteria [Escherichia coli (MTCC-443), Pseudomonas aeruginosa (MTCC-1688)] and three fungal species (C. albicans, A. niger and A. clavatus). Following this, in vitro cytotoxicity activity against HeLa cell lines was measured by MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide] assay. The observations derived from the diverse assays were utilized for building classification models based on a binary QSAR approach termed recursive partitioning (RP) analysis to probe the physic-chemical properties influencing the SAR for molecules. The decision tree derived from RP analysis could highlight structural characteristics that discriminate the actives from inactives which can serve as guide to design molecules with improved potency. In silico ADME predictions were performed to gauge their pharmacokinetic, safety and drug likeness profile.</p>10a110a310a4-Oxadiazole10aAntimicrobial activity10aCytotoxicity10aPyrazole10aPyridine10aQSAR1 aDesai, N., C.1 aKotadiya, G., M.1 aTrivedi, A., R.1 aKhedkar, Vijay, M.1 aJha, Prakash, C.  uhttps://library.ncl.res.in/content/synthesis-biological-valuation-and-qsar-studies-novel-pyrazole-bearing-pyridyl-oxadiazole-1