Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation

Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation

Schistosomiasis is a neglected tropical disease with a significant socioeconomic impact. It is caused by several species of blood trematodes from the genus <i>Schistosoma</i>, with <i>S. mansoni</i> being the most prevalent. Praziquantel (PZQ) is the only drug available for t...

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Bibliographic Details
Main Authors: Abdulrahim A. Alzain, Rua M. Mukhtar, Nihal Abdelmoniem, Fatima A. Elbadwi, Amira Hussien, Elrashied A. E. Garelnabi, Wadah Osman, Asmaa E. Sherif, Amgad I. M. Khedr, Kholoud F. Ghazawi, Waad A. Samman, Sabrin R. M. Ibrahim, Gamal A. Mohamed, Ahmed Ashour
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Metabolites
Subjects:
schistosomiasis
SmHDAC8
allosteric
phytochemicals
molecular docking
molecular dynamics
Online Access:https://www.mdpi.com/2218-1989/13/5/658

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https://www.mdpi.com/2218-1989/13/5/658

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