Tuberculosis caused by Mycobacterium tuberculosis is an infectious bacterial disease which is a leading cause of mortality affecting
more than 9 million people worldwide. The current standard regimens that are available for the treatment of TB are severely hampered
due to the occurrence of multidrug-resistant (MDR-TB) and extensively drug-resistant (XDR-TB) strains of Mycobacterium tuberculosis.
In the past few years, a huge and constantly expanding effort has been developed to understand the chemical-biological interaction
of many new anti-tubercular drugs and their targets in mathematical terms. Here, we have elected to review only those studies concerning
2D and 3D QSAR models that contain different DFT based descriptors as their parameters.
Keywords: Tuberculosis, 2D QSAR, 3D QSAR, DFT.
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