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

Authors

  • Blessy Jacob T John College of Pharmacy, Bangalore-83
  • Lata K. Bisht
  • Vineeth Chandy

Abstract

In the present study, quantitative structure activity relationship (QSAR) studies have beenperformed on series of 24 compounds of 4-thiazolidinone derivatives with antimicrobialactivity using Chemoffice version 8.0 software. The QSAR models have been developed byusing multiple linear regressions in order to identify descriptors, which are actually focusingtowards the biological activity. Leave one out (LOO) method was employed in crossvalidation 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 modelreveals that some multidimensional steric factors and electronic factors like HF (heat offormation), PMI-Y (principle moment of inertia-Y axis), D2 (Dipole energy) and electronicenergy show strong correlation with biological activity. These models are expected to beuseful as antimicrobial agents. Training set was formed by selecting 19 compounds fromoriginal series. Test set compounds were selected randomly. The validation techniques utilizedin this work illustrate the accuracy and robustness of the constructed model by calculating itsfitness on training and test set.Keywords: 4-thiazolidinoneantimicrobial agentsderivatives,quantitativestructureactivityrelationship,Blessy Jacob, Bisht Lata K, VineethChandy. Quantitative Structure ActivityRelationship Studies of Some New 4-ThiazolidinoneDerivativesasAntimicrobial Agents. Research andReviews: A Journal of PharmaceuticalScience. 2017; 8(2): 1–3p.  

Downloads

Published

2017-09-04

Issue

Vol. 8 No. 2 (2017)

Section

Research Articles

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. ________________

_______________

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.