Identification of active molecules against Mycobacterial Shikimate
Kinase from Chemical library and their affinity with different domains
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.