1Division of Biochemistry, ICAR-Indian Veterinary Research Institute, Bareilly-243 001, Uttar Pradesh, India
2Department of Veterinary Anatomy, Odisha University of Agriculture and Technology, Bhubaneswar-751 001, Odisha, India
*Corresponding Author: Pravas Ranjan Sahoo, Division of Biochemistry, ICAR-Indian Veterinary Research Institute, Bareilly-243 001, Uttar Pradesh, India, Email: pravasvet86@gmail.com
Online published on 11 October, 2024.
Leishmania infantum, one important intracellular parasite causes most potentially lethal diseases such as leishmaniasis i.e. Visceral leishmaniasis in dogs. Although certain chemical drugs such as pentostam, amphotericin B, miltefosine have been trailed against this disease, but all these drugs induced antibiotic resistance and toxicity in the host. Further, the trypanothione synthetase, a key enzyme of this parasite which catalyzes a reaction, maintaining thiol redox within the cell.
The binding study was carried out with selected natural/synthetic phytocompounds/ drugs against the modeled trypanothione synthetase though molecular docking.
The generated protein model with lowest discrete potential energy (DOPE) -19960.97 was found good in quality with z score of -5.19 and quality factor of 61.83% and it was found that the natural inhibitors glycyrrhetic acid (GRA) and Theaflavin (TFN) showed highest binding energies of -7.34 and -6.95 Kcal/mol. This study may be concluded that the natural inhibitors glycyrrhetic acid (GRA) and Theaflavin (TFN) would be potential regimen in treatment of canine leishmaniasis.
Homology modeling, Leishmania infantum, Molecular docking, Trypanothione synthetase
