QSAR Analysis on a Series of Triazole Based Tubulin Polymerization Inhibitors

Abstract

Abstract

The polymerization progression of microtubules is vital to their natural capacities. Polymerization flow allows microtubules to embrace spatial courses of action that can change quickly because of cell needs and, at times, to perform mechanical work. Compounds that interfere with the microtubule-tubulin equilibria in cells are helpful in the treatment of human diseases. A few triazoles mimics of combretastatin-benzothiazole (CAB) hybrids had good activity as inhibitors both of tubulin polymerization and of the development of DU-145 human prostate tumor cells. Display work depicts correlation between the tubulin polymerization inhibitory activity for fundamentally related cis-restricted triazole mimics of CAB hybrids and their physicochemical descriptors in quantitative terms. The measurably approved two-dimensional quantitative structure activity relationship (2D QSAR) display has been gotten through numerous multiple linear regression (MLR) examination strategy used Vlife molecular design suits (MDS). Factual information of Model 5 (r² = 0.9922, q² =0.7045; F = 147.7612, pred r² = 0.8025) related with tubulin polymerization inhibitory activity. Model has included and featured the positive and negative correlation of four-five descriptors with the biological activity.

Keywords: Microtubules, tubulin polymerization inhibitors, triazole, regression analysis, QSAR

Cite this Article

Akanksha, Vikas Mehta, Richa Dhingra et al. QSAR Analysis on a Series of Triazole Based Tubulin Polymerization Inhibitors. Research & Reviews: A Journal of Bioinformatics. 2017; 4(2): 5–20p.