Quantitative Structure Activity Relationship Analysis of N-Substituted Phenazine-1-carboxamides Analogs as Anti-mycobacterial Agents.

Mycobacterium tuberculosis (MTB) claims lives that are more human each year than any other Bacterial Pathogen. l/3^rd of the world's population is already infected with TB. Every year, more than eight million new people develop active tuberculosis, and 2 million people die from TB. In view of above and as a part of our effort to develop newer anti-tubercular agents, molecular modeling analysis was performed to develop QSAR models that show substantial predictive promise for N-substituted phenazine-1-carboxamides. The QSAR model explains 76.4 percent variance in activity with low standard error of estimation (0.222). Model showed statistical significant internal predictivity (q²=0.600) and external predictivity (r²pred=0.447) values. The detailed structural investigation revealed that the anti-tubercular activity is predominantly explained by the radial distribution functions (RDF080m & RDF085m). topological descriptor (IC3) and empirical descriptor (Hy). The structural insights gleaned from the study are helpful in design of inhibitors with enhanced potency. [ABSTRACT FROM AUTHOR]

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