Synthesis, Biological Evaluations and Molecular Docking of Novel Pyrazolyl, Dihydro-۱H-inden-۱-one Derivatives

A series of novel pyrazol-۴-yl- dihydro-۱H-inden-۱-one derivatives were synthesized by using greener catalyst pH ۱۲.۵ (Bleaching earth clay BEC) as an efficient catalytic and PEG-۴۰۰ as a green, recyclable solvent. All the synthesized compounds are characterized with ۱HNMR, ۱۳CNMR, IR and Mass Spectroscopy techniques. The synthesized molecules are subjected for the molecular docking study with ۶KZV-A enzyme, the compounds IIb (E)-۲-((۱-(۴-bromophenyl)-۳-phenyl-۱H-pyrazol-۴-yl)methylene)-۲,۳-dihydro-۱H-inden-۱-one, IIc(E)-۲-((۳-phenyl-۱-(p-tolyl)-۱H-pyrazol-۴-yl)methylene)-۲,۳-dihydro-۱H-inden-۱-one, IId (E)-۲-((۱-(۴-methoxyphenyl)-۳-phenyl-۱H-pyrazol-۴-yl)methylene)-۲,۳-dihydro-۱H-inden-۱-one and IIe (E)-۲-((۱-(۴- nitrophenyl)-۳-phenyl-۱H-pyrazol-۴-yl)methylene)-۲,۳-dihydro-۱H-inden-۱-one shows the desired bonding interaction with ۶KZV-A enzyme. The compounds further were evaluated for antimicrobial activities. Amongst these synthesized compounds, the mentioned compounds show good to moderate antimicrobial activities.

کلیدواژه ها:

Molecular docking ، Antimicrobial ، Bleaching earth clay pH ۱۲.۵ ، PEG-۴۰۰ α ، β -unsaturated ketones