3D QSAR analysis of new N-linked 5-triazolylmethyl oxazolidinones derivative as antibacterial agents
By Raj K. Prasad, Rajesh Sharma
ABSTRACT
Three-dimensional quantitative structure activity relationship studies were carried out on a series of 21 N-linked 5-triazolylmethyl oxazolidinones compounds to find out the structural requirements for antibacterial activity by using Molecular Design Suite (MDS) 3.0.The best predictions were obtained from the model where thirteen compounds were considered in the training set and remaining eight compounds in the test set. 3D QSAR approach was developed based on principles of the k-nearest neighbor method combined with various variable selection procedures was used. The kNN-MFA approach was used to generate models for given data set and these models were used to predict the activity of test molecules.
Keywords : 3D QSAR; N-linked 5-triazolylmethyl oxazolidinones; Antibacterial activity
