Abstract

G-QSAR studies of novel 1,2,4triazolo [3,4-b]-1,3,4-thiadiazole derivatives

In the present work, we have studied group quantitative structure–activity relationship (G-QSAR) to understand the correlation between the structures of a new emerging family of 1,2,4-triazolo [3,4-b]-1,3,4-thiadiazole derivatives and their antifungal activities. We have developed descriptive validated models, for development of newer antifungal agents containing the thiadiazole linked triazole pharmacophore. These studies have been performed on V-Life molecular design suite (MDS) software. For model validation, the dataset was divided into various training and test sets using sphere exclusion method. The developed G-QSAR models were found to be statistically significant with respect to training (r2>0.7), cross-validation (q2>0.5), and external validation (pred_r2>0.5). The developed G-QSAR model suggests that the nature of substitution on one of the aryl fragment is highly influential in determining biological activity.


Author(s): Mayura A. Kale and Kirtee G. Baheti

Abstract | PDF

Share This Article
Awards Nomination 17+ Million Readerbase
Google Scholar citation report
Citations : 4713

Der Pharmacia Sinica received 4713 citations as per Google Scholar report

Abstracted/Indexed in
  • Google Scholar
  • Genamics JournalSeek
  • China National Knowledge Infrastructure (CNKI)
  • Directory of Research Journal Indexing (DRJI)
  • Proquest Summons
  • MIAR
  • International Committee of Medical Journal Editors (ICMJE)
  • Serials Union Catalogue (SUNCAT)
  • Geneva Foundation for Medical Education and Research
  • Secret Search Engine Labs
  • CAS (Chemical Abstracting Services)
  • University of Barcelona

View More »

Flyer image