Antimicrobial evaluation and molecular properties prediction of pyrazolines incorporating benzofuran and pyrazole moieties
Mervat Elsherif, Ashraf S. Hassan, Gaber O. Moustafa, Hassan M. Awad, Nesrin M. Morsy
Abstract
A series of chalcones 3-5, 1H-pyrazolines 6-8, N-phenylpyrazolines 9-11, and N-acetylpyrazolines 12-14 incorporating benzofuran and pyrazole moieties were synthesized and screened for their in vitro antimicrobial activity against some of pathogenic microorganisms. Among the screened compounds, 7 and 13 showed the most promising antibacterial activity against Escherichia coli (G -). Compound 11 displayed broad spectrum antibacterial activity against Bacillus subtilis (G + ). Moreover, compounds 10 and 4 were found to be the most potent antifungal agent against Candida albicans and Aspergillus niger, respectively. Also, the molecular properties prediction and druglikeness model score (DLS) of all the synthesized compounds were calculated by SwissADME and MolSoft websites, respectively. The two compounds 7 and 13 were found to be maximum DLS of 0.75 and 0.83, respectively.