title: Modeled structure of trypanothione reductase of Leishmania infantum.
abstract: Trypanothione reductase is an important target enzyme for structure-based drug design against Leishmania. We used homology modeling to construct a three-dimensional structure of the trypanothione reductase (TR) of Leishmania infantum. The structure shows acceptable Ramachandran statistics and a remarkably different active site from glutathione reductase(GR). Thus, a specific inhibitor against TR can be designed without interfering with host (human) GR activity.
authors.affiliation: Department of Biotechnology, Indian Institute of Technology Guwahati, Assam-781039, India.
authors.forename: Bishal K
authors.initials: BK
authors.lastname: Singh
authors.forename: Nandini
authors.initials: N
authors.lastname: Sarkar
authors.forename: M V
authors.initials: MV
authors.lastname: Jagannadham
authors.forename: Vikash K
authors.initials: VK
authors.lastname: Dubey
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D018314:Leishmania infantum / Q000201:enzymology*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009247:NADH, NADPH Oxidoreductases / Q000737:chemistry*; D011487:Protein Conformation; D017386:Sequence Homology, Amino Acid
chemical_list: D009247:NADH, NADPH Oxidoreductases; C049608:trypanothione reductase