02371nas a2200193   4500008004100000245014600041210006900187260000800256300001400264490000600278520163400284100002301918700002401941700002401965700002801989700002302017700000502040856013202045       2018                        eng d00aNovel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives: new leads in cancer and bacterial chemotherapy0 aNovel 24dimethyl5E3phenyl3oxoprop1enyl1Hpyrrole3carboxylic acid   cSEP  a9571-95750 v33 a<p>The efficiently designed and synthesized novel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives has been described here which is encouraged by the anticancer activities associated with sunitinib and semaxanib. Synthesized compounds were characterized by (HNMR)-H-1, (CNMR)-C-13 and high-resolution mass spectrometry (HRMS). They are evaluated for invitro antiproliferative properties on cancer cell lines as well as antibacterial activity against gram-positive and gram-negative species. The bioassay results revealed that several compounds exhibit potential antiproliferation activity. Among them, the lead compound 2,2,2-trifluoroethyl 5-((E)-3-(3-fluoro-4-(trifluoromethyl)phenyl)-3-oxoprop-1-enyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (9g) showed the most potent anticancer activity against MDA-MB-231 and PC-3 cancer cell line with GI(50) values of 5.51 and 5.15 mu g/mL and subsequently more active than sunitinib (GI(50): 6.50 mu g/mL) against PC-3. Same compound 9g also exhibits the most potent antibacterial activity against gram-positive bacteria Bacillus subtilis and Staphylococcus aureus with IC50 of 1.44 and 1.54 mu g/mL. In silico prediction, shows that all seven potent compounds obeyed Lipinski rule for druglikeness. Structure-activity relationship (SAR) study reflect the activity enhance with electron withdrawing group on aryl ring and replacement of acid by its bioisosteres i.e. amide and ester group. These studies have successfully identified many newly synthesized compounds as potential anticancer as well as antibacterial agent for further development.</p>1 aRasal, Nishant, K.1 aSonawane, Rahul, B.1 aChoudhari, Amit, S.1 aChakraborty, Shakti, S.1 aSarkar, Dhiman, D.1 a  uhttps://library.ncl.res.in/content/novel-24-dimethyl-5-e-3-phenyl-3-oxoprop-1-enyl-1h-pyrrole-3-carboxylic-acid-derivatives-new