Tuberculosis (TB) caused by Mycobacterium tuberculosis claims millions of lives each year globally. Although it can be controlled by currently available drug regimen (DOTS), yet the emergence of multidrug resistance (MDR) and extensively drug resistance (XDR) TB is a growing concern. The increasing rate of MDR-TB, co-infection with HIV and XDR-TB necessitates the development of new anti-TB agents that have a practical impact on tuberculosis control. This review article gives a brief introduction of tuberculosis, present day problems, traditional and new anti-TB drug targets, currently used drugs, their mode of action, the pipeline compounds and a short description of new chemical entities (NCE's) as antitubercular agents developed in last 10 years.
: In drug discovery, in silico methods have become a very important part of the process. These approaches impact the entire development process by discovering and identifying new target proteins as well as designing potential ligands with a significant reduction of time and cost. Furthermore, in silico approaches are also preferred because of reduction in experimental use of animals as; in vivo testing, for safer drug design and repositioning of known drugs. Novel software based discovery and development such as direct/indirect drug design, molecular modelling, docking, screening, drugreceptor interaction, and molecular simulation studies are very important tools for the predictions of ligand-target interaction pattern, pharmacodynamics as well as pharmacokinetic properties of ligands. On the other part, the computational approaches can be numerous, requiring interdisciplinary studies and the application of advance computer technology to design effective and commercially feasible drugs. This review mainly focuses on the various databases and softwares used in drug design and development for speed up the process.
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