Impact of Target-Based Drug Design in Anti-bacterial Drug Discovery for the Treatment of Tuberculosis

  • Anju Choorakottayil Pushkaran
  • Raja Biswas
  • C. Gopi MohanEmail author
Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 27)


Tuberculosis (TB) is an infectious disease caused by Mycobacterium tuberculosis (Mtb) and is a major public health concern. According to the 2017 WHO report, global burden of TB infection was 10.4 million people causing the mortality rate of ~1.6 million. The rapid emergence of multidrug-resistant (MDR) and extensively drug-resistant (XDR) TB is of major concern in anti-TB drug discovery. There are different druggable targets and its pathways involved in the virulence, which include Mtb cell wall, replication and transcription, regulatory, protein synthesis, membrane transport, and energy production which need to be explored for efficient killing of the bacteria. The ability of the tubercle bacilli to remain within the host intracellular compartment is of other major concern in TB therapy. Thus, to tackle the TB drug resistance, potent inhibitors with novel mechanism of action of different Mtb druggable targets need to be discovered. Three-dimensional structure of different Mtb target was solved for structure-based drug design. The current chapter focuses on some of the key druggable targets in Mtb and also the recent advances in target-based drug designing in the area of anti-tubercular drug discovery.


Mycobacterium tuberculosis TB therapy Drug targets Structural biology Chemoinformatics Drug resistance 





Antigen 85


5′adenosine monophosphate-activated protein kinase


Aspartyl tRNA synthetase


Bacille Calmette-Guérin


Caseinolytic peptidase P


Cyclopropane synthase




d-Glutamic acid


Decaprenylphosphoryl-β-d-ribofuranose 2′-oxidase


Filamenting temperature-sensitive protein Z


Malate synthase




DNA gyrase subunit B


High-throughput screening






Leucyl-tRNA synthetase




Lipoamide dehydrogenase




Molecular electrostatic potential surface


meso-diaminopimelic acid


Minimum inhibitory concentration


Multiple sequence alignment


Mycobacterium tuberculosis


N-glycolylmuramic acid


Nuclear magnetic resonance


Protein data bank


Peptide deformylase




Tyrosine phosphatase A


Tyrosine phosphatase B


Cytochrome bc1 complex


Quantitative structure activity relationship


RNA polymerase enzyme


Reactive oxygen species




Tricarboxylic acid


Virtual screening


World Health Organization


Extensively drug-resistant



The author ACP acknowledges Kerala State Council for Science, Technology & Environment (KSCSTE) for awarding Junior Research Fellowship (Grant No:1132/2013/KSCSTE), India. The authors thank Indian Council for Medical Research (ICMR) and Department of Biotechnology (DBT; BT/PR5659/MED/29/564/2012), Government of India, New Delhi, India, for financial support. We also acknowledge gratefully Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Kochi, for the infrastructure support.


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Copyright information

© Springer Nature Switzerland AG 2019

Authors and Affiliations

  • Anju Choorakottayil Pushkaran
    • 1
  • Raja Biswas
    • 1
  • C. Gopi Mohan
    • 1
    Email author
  1. 1.Center for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa VidyapeethamKochiIndia

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