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Identification of active molecules against Mycobacterial Shikimate Kinase from Chemical library and their affinity with different domains
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  • Sapna Pandey,
  • Ekta Dhamija,
  • Sanjay Kumar,
  • Pragya Yadav,
  • Tadigopula Narender,
  • Arnava Dasgupta,
  • Ravishankar Ramachandran,
  • KISHORE SRIVASTAVA
Sapna Pandey
Central Drug Research Institute
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Ekta Dhamija
Central Drug Research Institute
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Sanjay Kumar
Central Drug Research Institute
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Pragya Yadav
Central Drug Research Institute
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Tadigopula Narender
Central Drug Research Institute
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Arnava Dasgupta
Central Drug Research Institute
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Ravishankar Ramachandran
Central Drug Research Institute
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KISHORE SRIVASTAVA
Central Drug Research Institute
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Abstract

Tuberculosis (TB), regardless of being the oldest disease is still a menace that humans have not been able to control. With the advancement in the drug discovery programme, target-based drug discovery appears to be one of the promising techniques for the development of future therapeutics. It involves identifying an essential gene involved in the pathogenesis of the disease and then targeting the protein against a defined chemical library. Shikimate kinase is one such validated target in mycobacterium. It is vital for the growth of bacteria and is absent in mammals, making it an ideal drug target. Here 6427 compounds were screened through structure based virtual screening where compound S-014-1049 was found active against H37Rv and proven non-cytotoxic in in vitro studies. It specifically binds to the core domain of MTSK.