3D QSAR Pharmacophore Based Virtual Screening, ADME Analysis and Estimation of MM/GBSA binding Free Energies of Azoles as a Potential Inhibitor of DprE1 for Mycobacterium Tuberculosis
Abstract:Decaprenylphosphoryl - D – ribose – 2 –epimerase (DprE1) is a promising drug target to identify new anti- TB drugs against drug resistant tuberculosis. DprE1 helps in cell wall biosynthesis through Decaprenyl-phosphoryl d-arabinose pathway. Inhibition of DprE1 results in blocking of cell wall biosynthesis, causing death of mycobacterium tuberculosis. In current studies, a set of thirty triazole molecules having antitubercular activity were selected for pharmacophore 3D QSAR studies. The generated common pharma… Show more
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