Modeled Structure of Trypanothione Synthetase of Leishmania infantum for development of novel therapeutics for leishmaniasis

Order of Publishing in Issue: 
3
Volume :2
Issue :2
July, 2008
Page No: 
390 -395
Authors: 
Bishal Kumar Singh, Nandini Sarkar and Vikash Kumar Dubey *
Address: 
Department of Biotechnology, Indian Institute of Technology Guwahati- 781039, Assam, India
Email-ID: 
vdubey@iitg.ernet.in

Trypanothione synthetase (TryS) is an important enzyme for survival of Leishmania; thus an important target for structure based drugdesign against leishmaniasis. We have constructed three-dimensional structure of the TryS of Leishmania infantum by homologymodeling with acceptable Ramachandran statistics. The modeled structure TryS is compared with human (host) glutathionesynthetase (GS) and Escherichia coli glutathionyspermidine synthase (GspS) involved in similar functions. Remarkable structuraldifference between human GS and TryS, opens a new avenue to design specific TryS inhibitor drugs against leishmaniasis without interfering GS activity. Interestingly, GS displays very littlesequence or structure identity with GspS or TryS . Since there is no success yet in solving the crystal structure of TryS of any species of Leishmania, the current modeled structure willbe used for our ongoing docking study to identify potentials inhibitors.

Keywords: 
Structure-Function; Synthetase activity, Homology Modeling
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