Abstract:
:The emergence of multi-drug resistant strains and co-occurrence of tuberculosis with HIV creates a major burden to the human health globally. Failure of primary antibacterial therapy necessitates the identification of new mycobacterial drugs. In this study, a comprehensive analysis involving bottom-up systems biology approach was applied wherein we have identified potential therapeutic targets of Mycobacterium tuberculosis infections. Our study prioritized M. tuberculosis therapeutic targets (aspartate-β-semialdeyhde dehydrogenase [ASD], dihydrodipicolinate reductase and diaminopimelate decarboxylase) based on flux and elementary mode analysis using direct mathematical modeling of the relevant metabolic pathways. Molecular docking and simulation studies of the priority target (ie, ASD) revealed the therapeutic potential of the selected natural products (Huperzine A, Rosmarinic acid, and Curcumin) based ASD inhibitors. The study highlights the crucial role of systems biology in conjunction with molecular interaction (docking) for probing novel leads against an increasingly resistant pathogen, M. tuberculousis.
journal_name
J Cell Biochemjournal_title
Journal of cellular biochemistryauthors
Khan S,Somvanshi P,Bhardwaj T,Mandal RK,Dar SA,Wahid M,Jawed A,Lohani M,Khan M,Areeshi MY,Haque Sdoi
10.1002/jcb.26458subject
Has Abstractpub_date
2018-03-01 00:00:00pages
2832-2842issue
3eissn
0730-2312issn
1097-4644journal_volume
119pub_type
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