Design and Qsar Studies of Benzimidazole Nucleus As Anti-Infective Agents

Abstract

The objective of current study is to design, synthesize the benzimidazoles derivative and evaluate it for anti-malarialactivity by the recently developed Computer Aided Drug Designing techniques with development of new pharmacological active compounds However, a promising approach is needed to use these agents as templates for designing new derivatives with improved properties. The Aim of this project was thus to investigate the potential of the lead compound for future antimalrial drugs. . In order to accomplish this aim a range of synthetic derivatives of Benzimidazoles were prepared and biologically evaluated for Antimalarial activity. 2D Structure of all the designed compounds were draw with the help of chem Draw ultra-version 8.0.3 and exported to window of Chem 3D ultra version 8.0.3 Energy of all the 3D structures were minimized through MOPAC up to RMS gradient 0.001 and saved in MDL Mol file (.Mol) format. )]. In order to examine the predictive power of the QSAR models, the dataset was divided into training set consisting of 32 molecules and test set consisting of 8 compounds in such a way that the utilizing the diversity method in such a way that the structural diversity and a wide range of biological activity in the data set were added. The IC₅₀ values were transformed to pIC₅₀ in order to give numerically larger data values.