Synthesis, anti-bacterial activity and molecular docking of novel pyrazole conjugates

10^th World Congress on Medicinal Chemistry and Drug Design

June 14-15, 2018 | Barcelona, Spain

Ebenezer O Oluwakemi, Neil Koorbanally and Parvesh Singh

University of KwaZulu-Natal, South Africa

Posters & Accepted Abstracts: Med chem (Los Angeles)

Abstract :

A novel series of pyrazole conjugates were synthesized using molecular hybridization approach through Vilsmeier-Haack reaction. The structure elucidation of the synthesized compounds was established using 1HNMR, 13CNMR, IR and elemental analyses. All compounds were tested for antimicrobial activity against two Gram positive bacteria (Methicillinresistant Staphylococcus aureus, Staphylococcus aureus) and four Gram negative bacteria (Escherichia coli, Salmonella typhimurium, Klebsiella pneumonia and Pseudomonas aeruginosa). Among the compounds tested, 3-(2,4-dichlorophenyl)-1(2,4-dinitrophenyl)-1pyrazoyl)methylene)hydrazinecarbothioamide (3a) and 2-((3-(2-chlorophenyl)-1-(2,4-dinitrophenyl)1H-pyrazol-4-yl)methyleneamino)thiazolidin-4-one (4b) emerged as the most cogent antimicrobial compounds with minimum bacterial concentration (MBC) of 0.08, 0.08, 0.16 and 0.16 �¼g/mL against MRSA and S. aureus respectively. Molecular docking studies of the compounds into the crystal structure of topoisomerase II and topoisomerase IV suggested that compounds 3a and 4b preferably interact with the target through hydrogen bonding.