Docking Studies on Leishmanial Trypanothione Reductase

Rama, M and Kumar, Anil N V and Balaji, S (2015) Docking Studies on Leishmanial Trypanothione Reductase. CT International Journal of Pharmaceutical and Integrated Life Sciences, 1 (1). pp. 30-33.

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Leishmaniasis is one among 17 Neglected Tropical Diseases (NTDs) caused by different leishmanial species. Trypanothione reductase is a unique enzyme in trypanosomatid parasites which play an important role in trypanothione biosynthesis. Hence, it is one of the experimentally validated targets for leishmaniasis. This paper describes the inhibition of leishmanial trypanothione reductase by randomly selected ligands from PDB. Here, the interaction between the ligand and the target were analyzed using Surflex dock module of Sybyl software 7.3 version. Highly interacted ligands were selected and reported based on interaction score and its number of hydrogen bonds between the active site of the target and the ligands. The interactions of these ligands were compared with already available trypanothione reductase ligands in PDB. This comparative study may help in designing the potent inhibitors for leishmanisis

Item Type: Article
Uncontrolled Keywords: Leishmaniasis, tropical disease, trypanothione reductase, inhibitors, docking
Subjects: Engineering > MIT Manipal > Chemistry
Depositing User: MIT Library
Date Deposited: 21 Dec 2015 10:30
Last Modified: 21 Dec 2015 10:30

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