Quantitative Structure Activity Relationship Studies of Some New 4-Thiazolidinone Derivatives as Antimicrobial Agents

Authors

  • Blessy Jacob T. John College of Pharmacy, Gottigere, Bannerghatta road, Bangalore- 560083
  • Lata K. Bisht Department of Pharmaceutical Chemistry, T John College of Pharmacy, Bangalore, Karnataka, India
  • Vineeth Chandy Department of Pharmaceutical Chemistry, T John College of Pharmacy, Bangalore, Karnataka, India

DOI:

https://doi.org/10.37591/(rrjops).v8i2.474

Abstract

 

In the present study, quantitative structure activity relationship (QSAR) studies have been performed on series of 24 compounds of 4-thiazolidinone derivatives with antimicrobial activity using Chemoffice version 8.0 software. The QSAR models have been developed by using multiple linear regressions in order to identify descriptors, which are actually focusing towards the biological activity. Leave one out (LOO) method was employed in cross validation analysis to validate the developed model. The best predictive QSAR model derived, had r2cv of 0.76, non-cross validated r2 of 0.9, and predictive r2 for test set 0.87. The model reveals that some multidimensional steric factors and electronic factors like HF (heat of formation), PMI-Y (principle moment of inertia-Y axis), D2 (Dipole energy) and electronic energy show strong correlation with biological activity. These models are expected to be useful as antimicrobial agents. Training set was formed by selecting 19 compounds from original series. Test set compounds were selected randomly. The validation techniques utilized in this work illustrate the accuracy and robustness of the constructed model by calculating its fitness on training and test set.

 

Keywords: 4-thiazolidinone derivatives, quantitative structure activity relationship, antimicrobial agents

Cite this Article

Blessy Jacob, Bisht Lata K, Vineeth Chandy. Quantitative Structure Activity Relationship Studies of Some New 4-Thiazolidinone Derivatives as Antimicrobial Agents. Research and Reviews: A Journal of Pharmaceutical Science. 2017; 8(2): 1–3p.

Downloads

Published

2019-06-17

Issue

Vol. 8 No. 2 (2017)

Section

Research Article

License

Declaration and Copyright Transfer Form

(to be completed by authors)

I/ We, the undersigned author(s) of the submitted manuscript, hereby declare, that the above manuscript which is submitted for publication in the STM Journals(s), is not published already in part or whole (except in the form of abstract) in any journal or magazine for private or public circulation, and, is not under consideration of publication elsewhere.

  • I/We will not withdraw the manuscript after 1 week of submission as I have read the Author Guidelines and will adhere to the guidelines.
  • I/We Author(s ) have niether given nor will give this manuscript elsewhere for publishing after submitting in STM Journal(s).
  • I/ We have read the original version of the manuscript and am/ are responsible for the thought contents embodied in it. The work dealt in the manuscript is my/ our own, and my/ our individual contribution to this work is significant enough to qualify for authorship.
  •  I/We also agree to the authorship of the article in the following order:

Author’s name                                    

 

1. ________________

2. ________________

3. ________________

4. ________________

 

We  Author(s) tick this box and would request you to consider it as our signature as we agree to the terms of this Copyright Notice, which will apply to this submission if and when it is published by this journal.