Prediction of anticancer property of bowsellic acid derivatives by quantitative structure activity relationship analysis and molecular docking study.

ABSTRACT: CONTEXT:Boswellic acid consists of a series of pentacyclic triterpene molecules that are produced by the plant Boswellia serrata. The potential applications of Bowsellic acid for treatment of cancer have been focused here. AIMS:To predict the property of the bowsellic acid derivatives as anticancer compounds by various computational approaches. MATERIALS AND METHODS:In this work, all total 65 derivatives of bowsellic acids from the PubChem database were considered for the study. After energy minimization of the ligands various types of molecular descriptors were computed and corresponding two-dimensional quantitative structure activity relationship (QSAR) models were obtained by taking Andrews coefficient as the dependent variable. STATISTICAL ANALYSIS USED:Different types of comparative a

SUBMITTER: Satpathy R 

PROVIDER: S-EPMC4333623 | biostudies-literature | 2015 Jan-Mar

REPOSITORIES: biostudies-literature