In silico screening and molecular dynamic simulations of FDA-approved drugs as an inhibitor of trypanothione reductase of Leishmania donovani

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Beniwal, Pooja and Bhusal, Chandra Kanta and Choudhary, Gajendra and Sehgal, Rakesh K. and Medhi, Bikash and Prakash, Ajay and Kaur, Sukhbir (2025) In silico screening and molecular dynamic simulations of FDA-approved drugs as an inhibitor of trypanothione reductase of Leishmania donovani. Experimental Parasitology, 272. ISSN 00144894; 10902449

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Abstract

Visceral leishmaniasis (VL) is mainly caused by Leishmania donovani (Ld) and Leishmania (L.) infantum... (full abstract here)

Item Type: Article
Additional Information: Cited by: 1
Uncontrolled Keywords: bicalutamide; dasatinib; hydrogen; raloxifene; regorafenib; silodosin; thioridazine; trypanothione reductase; Article; binding kinetics; computer model; drug approval; drug database; drug efficacy; drug research; drug safety; drug screening; drug structure; drug targeting; enzyme inhibition; Food and Drug Administration; high throughput screening; hydrogen bond; in vitro study; in vivo study; Leishmania donovani; leishmaniasis; molecular docking; molecular dynamics; molecular mechanics; oxidation reduction reaction; structural homology; surface area; three-dimensional imaging; article; controlled study; drug analysis; drug comparison; drug toxicity; nonhuman; pharmacology; simulation; visceral leishmaniasis
Subjects: Biochemistry, Genetics and Molecular Biology > Molecular Medicine
Divisions: Medicine > Aarupadai Veedu Medical College and Hospital, Puducherry
Depositing User: Unnamed user with email techsupport@mosys.org
Date Deposited: 26 Nov 2025 10:09
Last Modified: 26 Nov 2025 10:09
URI: https://vmuir.mosys.org/id/eprint/204

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