Tuberculosis (TB) is caused by the bacterium Mycobacterium tuberculosis and is a common infectious disease
with high mortality and morbidity. The increasing prevalence of drug-resistant strains of TB presents a major public
health problem. Due to the lack of effective drugs to treat these drug-resistant strains, the discovery or development of
novel anti-TB drugs is important. Computer-aided drug design has become an established strategy for the identification of
novel active chemicals through a combination of several drug design tools. In this review, we summarise the current chemotherapy
for TB, describe attractive target proteins for the development of antibiotics against TB, and detail several
computational drug design strategies that may contribute to the further identification of active chemicals for the treatment
of not only TB but also other diseases.
Keywords: Computational medicinal chemistry, in silico structure-based drug screening, molecular modelling, pharmacophore
modelling, quantitative structure-activity relationship, tuberculosis.
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