Vaishnav Bhaskar, Sunil Kumar, Aathira Sujathan Nair, S Gokul, Prayaga Rajappan Krishnendu, Sonu Benny, C T Amrutha, Deepthi S Manisha, Vaishnavi Bhaskar, Subin Mary Zachariah, T P Aneesh, Mohamed A Abdelgawad, Mohammed M Ghoneim, Leena K Pappachen, Orazio Nicolotti, Bijo Mathew
Tuberculosis is one of the most ancient infectious diseases known to mankind predating upper Paleolithic era. In the current scenario, treatment of drug resistance tuberculosis is the major challenge as the treatment options are limited, less efficient and more toxic. In our study we have developed an atom based 3D QSAR model, statistically validated sound with R2 > 0.90 and Q2 > 0.72 using reported direct inhibitors of InhA (2018-2022), validated by enzyme inhibition assay...
December 8, 2023: Journal of Biomolecular Structure & Dynamics