In the present study, a series of new pyrazoline derivatives bearing sulfanilamido moiety were synthesized and obtained in good yields. The chemical structures of the compounds were elucidated by spectral data (FT-IR, MS, UV-VIS and NMR). The synthesized compounds 41-70 were screened for their antimicrobial activity and compared with controls. The in vitro antibacterial activity of compounds 41-45 and 48-57 was checked against two Gram positive microorganisms (S. aureus and S. mutans) and three Gram negative microorganisms (E. coli, K. pneumonia and P. aureginosa), their antifungal activity was checked against C. albicans. The preliminary results showed that these compounds had moderate activity against the tested organisms. Compounds 41, 48, 51 and 56 exhibited promising antimicrobial activity against S. aureus compared to standard drug Ampicilin. Final synthesized compounds 58-70 were tested against two Gram positive (S. aureus and B. subtilis) and two Gram negative (E. coli and P. aureginosa) microorganisms, their activity against C. albicans was also checked and they did not exhibit any antimicrobial activity.
A quantitative structure-activity relationships (QSAR) studies were carried out by correlating activity against human breast adenocarcinoma cell line MCF-7 of series of α,β-unsaturated carbonyl compounds with their physicochemical descriptors using multiple linear regression method. The predictability of the QSAR model was estimated using internal and external predictivity methods. The best QSAR model was selected, having the squared correlation coefficient r2 = 0.84684, correlation coefficient r = 0.9202, standard deviation s = 0.38484, and cross-validated squared correlation coefficient Q2 = 0.7621. Model obtained was used to predicted the activity against breast cancer for a set of designed α,β-unsaturated carbonyl compounds (A1-A16). Docking studies was performed for A1-A16 compounds to evaluated their inhibition on c-Met kinase, which has been overexpressed in a number of cancers.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
334 Leonard St
Brooklyn, NY 11211
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.