In Silico Molecular Docking and Dynamics Simulation Analysis of Potential Histone Lysine Methyl Transferase Inhibitors for Managing β-Thalassemia

In Silico Molecular Docking and Dynamics Simulation Analysis of Potential Histone Lysine Methyl Transferase Inhibitors for Managing β-Thalassemia

A decreased hemoglobin synthesis is contemplated as a pathological indication of β-thalassemia. Recent studies show that EPZ035544 from Epizyme could induce fetal hemoglobin (HbF) levels due to its proven capability to inhibit euchromatin histone lysine methyl transferase (EHMT2). Therefore, the dev...

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Bibliographic Details
Main Authors: Yuvaraj Ravikumar, Pimpisid Koonyosying, Sirichai Srichairatanakool, Lakshmi Naryanan Ponpandian, Jayanthi Kumaravelu, Somdet Srichairatanakool
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:Molecules
Subjects:
β-thalassemia
fetal hemoglobin
EHMT2 inhibitor
structure-based docking
molecular dynamics
Online Access:https://www.mdpi.com/1420-3049/28/21/7266

Internet

https://www.mdpi.com/1420-3049/28/21/7266

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