Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase

Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase

The therapeutic challenges pertaining to leishmaniasis due to reported chemoresistance and toxicity necessitate the need to explore novel pathways to identify plausible inhibitory molecules. Leishmania donovani 24-sterol methyltransferase (LdSMT) is vital for the synthesis of ergosterols, the main c...

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Bibliographic Details
Main Authors: Patrick O. Sakyi, Emmanuel Broni, Richard K. Amewu, Whelton A. Miller, Michael D. Wilson, Samuel Kojo Kwofie
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-06-01
Series:Frontiers in Cellular and Infection Microbiology
Subjects:
leishmaniasis
24-sterol methyltransferase
Leishmania donovani
de-novo drug design
molecular docking
molecular dynamics simulation
Online Access:https://www.frontiersin.org/articles/10.3389/fcimb.2022.859981/full

Internet

https://www.frontiersin.org/articles/10.3389/fcimb.2022.859981/full

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