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- Title
In silico Discovery of Potential Natural Inhibitors against Trypanothione Synthetase in Canine leishmaniasis.
- Authors
Sahoo, Pravas Ranjan; Pashupathi, M.; Patra, Ritun; Anika; Komal; Kumar, Ajay
- Abstract
Background: 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. Methods: The binding study was carried out with selected natural/synthetic phytocompounds/drugs against the modeled trypanothione synthetase though molecular docking. Result: 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.
- Subjects
VISCERAL leishmaniasis; LEISHMANIA infantum; AMPHOTERICIN B; MOLECULAR docking; LEISHMANIASIS
- Publication
Indian Journal of Animal Research, 2024, Vol 58, Issue 8, p1340
- ISSN
0367-6722
- Publication type
Article
- DOI
10.18805/IJAR.B-4562