Synthesis, antimicrobial and antioxidant activity of triazole, pyrazole containing thiazole derivatives and molecular docking studies on COVID-19

BMC Chemistry

Research

Bala Narsimha Dhoddi¹  Raghavender Matta¹  Jalapathi Pochampally¹  Sampath Bitla¹  Shankar Bhookya²  Anjini Gayatri Akkiraju³ 

[1] Department of Chemistry, Osmania University, 500007, Hyderabad, India;Department of Chemistry, Sreenidhi University, 501301, Hyderabad, India;Molecular Medicine Lab, Department of Genetics & Biotechnology, Osmania University, 500007, Hyderabad, India;

关键词: 1, 2, 3-triazole;    Pyrazole;    Thiazole;    Antimicrobial activity;    Antioxidant;    Molecular docking;   

DOI  :  10.1186/s13065-023-00965-8

 received in 2022-04-04, accepted in 2023-05-26,  发布年份 2023

来源: Springer

【 摘 要 】

New series of biologically active triazole and pyrazole compounds containing 2, 4-disubstituted thiazole analogues (12a-l) were synthesized from p-hydroxy benzaldehyde and phenyl hydrazine in excellent yields and purity. All the synthesized compounds were unambiguously identified based on their spectral data analyses (IR, 1H-NMR, 13C-NMR spectra, and HRMS). The final derivatives were evaluated for their in vitro anti-microbial activity after thorough purification. Among all the tested compounds, the compound 12e, 12f and 12 k possess the highest growth inhibitory activity at MIC values of 4.8, 5.1 and 4.0 μg/ml respectively. The antioxidant properties of these compounds demonstrated and revealed remarkable activity compared to the standard antioxidant by using the DPPH free radical-scavenging assay. Moreover, molecular docking studies to evaluate the probable interactions with the catalytic domain of the gram-positive S. aureus topoisomerase IV enzyme may provide new insights for developing these new hybrids as potential antimicrobial agents. The binding affinities of compounds 12a-l were ranging from − 10.0 to − 11.0 kcal/mol with topoisomerase IV enzyme and with COVID-19 main protease binding affinities are ranging from − 8.2 to − 9.3 kcal/mol. These docking studies reveal that the compounds 12a-l could be the best inhibitors for the novel SARS Cov-2 virus and have more future in discovery of potent drug candidates.

【 授权许可】

CC BY   
© The Author(s) 2023

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