Synthesis, molecular simulation studies, in vitro biological assessment of 2-substituted benzoxazole derivatives as promising antimicrobial agents

Authors

GAJANAN S. SHANBHAN
AMIT BHARGAVA
GIRIDHAR PAL SINGH
SHRINIVAS D. JOSHI
NARENDRA CHUNDAWAT

DOI

10.55730/1300-0527.3535

Abstract

The 2-substituted benzoxazole derivatives are known to exhibit a wide spectrum of biological potential. Two series of novel benzoxazole derivatives containing 2-phenyl and 2-N-phenyl groups were synthesized, by following the green chemistry approach. All the newly synthesized derivatives were screened against gram-positive bacteria (Streptococcus pyogenes, Staphylococcus aureus), gram-negative bacteria (Pseudomonas aeruginosa, Escherichia coli) and the fungus (Aspergillus clavatus and Candida albicans). Most of these compounds have demonstrated potent antibacterial activities, especially against E. coli at 25 μg/mL, along with moderate antifungal activity. Among these, two compounds, 21 and 18, showed interesting antibacterial profile. Molecular docking studies suggested that the antibacterial activity can be linked to the inhibition of DNA gyrase. Overall, the study proposes that these biologically potent compounds can be considered for developing the next generation antimicrobial agents.

Keywords

Benzoxazole, antimicrobial activity, molecular docking, DNA gyrase, greener synthesis

First Page

263

Last Page

279

Recommended Citation

SHANBHAN, GAJANAN S.; BHARGAVA, AMIT; SINGH, GIRIDHAR PAL; JOSHI, SHRINIVAS D.; and CHUNDAWAT, NARENDRA (2023) "Synthesis, molecular simulation studies, in vitro biological assessment of 2-substituted benzoxazole derivatives as promising antimicrobial agents," Turkish Journal of Chemistry: Vol. 47: No. 1, Article 26. https://doi.org/10.55730/1300-0527.3535
Available at: https://journals.tubitak.gov.tr/chem/vol47/iss1/26