Synthesis, Molecular Docking Studies and Evaluation of Antimicrobial Activities of Pyrazoline Derivatives

The novel compounds substituted phenyl -3-methyl -1,4,5- triphenyl -1, 3a, 4, 5 tetrahydrapyrazolo [3-4c] pyrazole (IVa-IVe)have been prepared substituted benzylidene pyrazolone (IIIa-IIIe) reacts with phenyl hydrazine substituted 3(furan-2-yl)-1,5 diphenyl-1H-pyrazol (Va-Ve) have been prepared by reaction of 3-(furan-2-yl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole and DDQ in DMF. The structural identification of the compounds was based on IR, 1H NMR and Mass spectral data. All the synthesized compounds have been screened for their antimicrobial activity and antifungal activities. The antimicrobial activities of the synthesized compounds have been compared with the standard drug, Streptomycin. Purity of synthesized compounds have been checked by TLC. A molecular docking study of the synthesized derivatives was also examined. The in-silico interaction results aligned with the in vitro analysis of the synthesized compounds and demonstrated well against Ciprofloxacin (1KZN 2XCT 6A09). Synthesized compounds Vd with – 8.3 kcal/mol exhibited good binding scores.

Chalcone, Pyrazoline, DDQ, Antimicrobial activity, Molecular Docking

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