Home|Journals|Articles by Year|Audio Abstracts

Original Article

J App Pharm Sci. 2015; 5(2): 028-042

Synthesis, molecular docking and QSAR studies of 2, 4-disubstituted thiazoles as antimicrobial agents

Preeti Arora, Rakesh Narang, Sonam Bhatia, Surendra Kumar Nayak, Sachin Kumar Singh, Balasubramanian Narasimhan.


In present study a series of 2,4-disubstituted thiazole derivatives was synthesized and evaluated for their in vitro antibacterial and antifungal activities against B. subtilis, E. coli, S. aureus, C. albicans and A. niger by tube dilution method. The analysis of antimicrobial results indicated that the presence of NO2 and OCH3 groups at para position of phenyl group improved the antimicrobial activity significantly. Molecular docking studies also supported in vitro activity results and showed that NO2 and OCH3 groups containing compounds have greater affinity towards the target glucosamine-6-phosphate synthase. QSAR studies indicated that molecular connectivity index (2χv) and Kier’s shape index (α3) are the key parameters for antimicrobial activity of synthesized thiazole derivatives and can be cosidered as important factors for interaction with target site of different microorganisms. It is pertinent to note that multi-target QSAR models were more effectual in demonstrating the antimicrobial activity than one-target QSAR models.

Key words: Antimicrobial, antifungal, antibacterial, 2,4-disbutituted thiazole, docking, QSAR

Full-text options

Share this Article

Online Article Submission
• ejmanager.com

ejPort - eJManager.com
Refer & Earn
About BiblioMed
License Information
Terms & Conditions
Privacy Policy
Contact Us

The articles in Bibliomed are open access articles licensed under Creative Commons Attribution 4.0 International License (CC BY), which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.