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Sivakumar, Subramaniam
- Identification of New Inhibitor against Mycobacterium tuberculosis using Structure Based Drug Designing and Docking Studies
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1 Department of Biochemistry, Sri Sankara Arts and Science College (Autonomous), Enathur – 631 561, IN
1 Department of Biochemistry, Sri Sankara Arts and Science College (Autonomous), Enathur – 631 561, IN
Source
Research Journal of Pharmacognosy and Phytochemistry, Vol 9, No 3 (2017), Pagination: 173-176Abstract
Bioinformatics is playing a vital role in all aspects of drug discovery, drug assessment and drug development. It is intensively utilized for the development new drugs against several dreadful diseases. Mycobacterium tuberculosis is the etiologic agent of tuberculosis in humans. This disease affects 1.8 billion people per year which is equal to one-third of the entire population of world. To eradicate the tuberculosis the following steps are followed, target and drug for the Mycobacterium tuberculosis identified from drug bank, homology modelling prediction carried out for the prediction of tertiary structure of fatty acyl CoA synthetase by using CPH Model server, similar chemical compounds to drug were retrieved from PubChem database, docking of enzyme with ligands achieved, molecular property using molinspiration online tool was calculated and the best ligand was finally selected as 2-pyrazinoylguanidine.Keywords
Mycobacterium tuberculosis, Drug Discovery, Pyrazinamide, Fatty Acyl CoA Synthetase, Docking, Drug Resistance.
References
- Wishart DS. Bioinformatics in drug development and assessment. Drug Metabol Rev. 2005; 37: 279–310. doi: 10.1081/DMR55225.
- Daniel J, Sirakova T, Kolattukudy P. An Acyl-CoA Synthetase in Mycobacterium tuberculosis involved in Triacylglycerol Accumulation during Dormancy. PLoS ONE. 2014; 9(12): e114877. https://doi.org/10.1371/journal.pone.0114877.
- Zimhony O, Cox JS, Welch JT, Vilchèze C and Jacobs WR Jr. Pyrazinamide inhibits the eukaryotic-like fatty acyl coA synthetase of Mycobacterium tuberculosis. Nat med. 2000; 6(9): 1043-1047 PMID:10973326.
- Zimhony O1, Vilcheze C, Arai M, Welch JT, Jacobs WR Jr. Pyrazinoic acid and its n-propyl ester inhibit fatty acyl coA synthase in replicating tubercle bacilli. Antimicrob Agents Chemother. 2007; 51(2): 752-754. PMID:17101678.
- Seital I, Watanabe H, Uruma T, Chikasawa Y, Kikuchi R, Itoh M, Aoshiba K, Nakamura H, Oishi T. Successful desensitization therapy involving fluoroquinolone for the treatment of a solitary tubercloma. Mol Clin Oncol. 2016; 5(1): 117-120. PMID:27330780.
- Da silva PB, de freitas ES, Bernegossi J, Goncalez ML, Sato MR, Pavan FR, Chorilli M. Nanotechnology - Based drug delivary systems for tretment of tuberculosis. J Biomed Nanotechnol. 2016; 12(2): 241-260. PMID : 273O5759.
- Law V, Knox C, Djoumbou Y, Jewison T, Guo AC, Liu Y, Maciejewski A, Arndt D, Wilson M, Neveu V, Tang A, Gabriel G, Ly C, Adamjee S, Dame ZT, Han B, Zhou Y, Wishart DS. DrugBank 4.0: shedding new light on drug metabolism. Nucleic Acids Res. 2014; 42(1): D1091-1097.
- Nielsen M, Lundegaard C, Lund O, and Petersen TN. CPHmodels-3.0 - Remote homology modeling using structure guided sequence profiles. Nucleic Acids Research. 2010; 38: doi:10.1093/nar/gkq535.
- Schneidman-Duhovny D, Inbar Y, Nussinov R, Wolfson HJ. PatchDock and SymmDock: servers for rigid and symmetric docking. Nucl. Acids. Res. 2005; 33: W363-367.
- Ertl P, Rohde B, Selzer P. Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. J. Med. Chem. 2000; 43: 3714-3717.
- Suresh MX. Computer aided drug design strategies for the development of novel beta lactam analogs targeting penicillin binding proteins. Trendz in Information Sciences & Computing (TISC). 2010; 88-93.
- Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug. Delivery Rev. 1997; 23: 4-25.