Synthesis, Anticonvulsant, and Molecular Docking Studies of (3,5-disubstituted-4,5-dihydro-1H-pyrazol-1-yl) (4-chlorophenyl) Methanone Derivatives

Aim/Background: This research work aims to design and synthesize novel compounds containing pyrazoline moiety in their structure with enhanced anticonvulsant activity in comparison with the standard (Phenytoin) drug. In the docking study, the target protein with the active site of human mitochondrial branched-chain aminotransferase (BCATm) (PDB ID: 2A1H) was used against synthesized compounds. Hence the importance of the pyrazoline compounds is thought of as interest for developing a new compound that shows better biological activity with minor side effects. Materials and Methods: The new pyrazoline derivatives were synthesized with the help of novel substituted acetophenone react with novel substituted benzaldehyde to form chalcone derivatives. The novel chalcones derivatives react with hydrazine hydrate to form a novel series of (3,5-disubstituted-4,5-dihydro-1H pyrazol-1-yl) (4-chlorophenyl) methanone Derivatives and Characterization and identification of each compound were successfully done by IR, 1HNMR, 13CNMR, Mass as well as analytical data. Results: A series of novel pyrazoline derivatives were synthesized effectively and potential against the anticonvulsant activity. Conclusion: In present work has given novel series of (3,5-disubstituted-4,5-dihydro 1H-pyrazol-1-yl) (4-chlorophenyl) methanone derivatives and prepared using a multistep step reaction. Compounds 4a, 4e, and 4f have shown more potent anticonvulsant activity. In the docking study, the target protein against the active site of human mitochondrial branched chain aminotransferase (BCATm) (PDB ID: 2A1H) was used against synthesized compounds. Among the titled compounds, 4f was found to be most potent and have a high docking score of -6.898 as compared to Gabapentin (-6.013 as Dock Score).