Structural insights into mode of actions of novel natural Mycobacterium protein tyrosine phosphatase B inhibitors.

ABSTRACT:

Background

Tuberculosis has become a major health problem being the second leading cause of death worldwide. Mycobacterium tuberculosis secretes a virulence factor, protein tyrosine phosphatase B (mPTPB) in the cytoplasm of host macrophage which suppresses its natural innate immune response and helps the pathogen survive and proliferate in the phagosome. The present study aims at indentifying potent inhibitors of mPTPB by using computational approaches of ligand based molecular modeling and docking studies.

Results

A 3D QSAR model was developed using a set of benzofuran salicylic acid based mPTPB inhibitors with experimentally known IC50 values. The model was generated using the statistical method of principle component regression analysis in combination with step wise forwa

SUBMITTER: Dhanjal JK 

PROVIDER: S-EPMC4046716 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature