Dataset for andrographoilde and HDAC2 inhibitor an approach to manage for beta thalassemia

Published: 4 January 2023| Version 1 | DOI: 10.17632/4b9ckcrm24.1
Contributor:
soumya khare

Description

Beta thalassemia is a disorder of globin gene synthesis resulting in the absent production of beta globin chain in RBC. The property of inducing gamma globin gene expression by the search for bioactive molecules exhibiting is of great interest. Regulation of HDAC activity by dietary flavones could have important implication in developing epigenetic therapy to regulate the cell gene expression. The data is collected from the possible physical interaction of flavone on human HDAC2 through insilico molecular docking. We used Schrodinger suites to develop computational approaches for estimating drug and target binding affinities. The target enzyme sequence alignments contain 539 amino acid residues, and bioactive compounds that act as ligand molecules were acquired from the plant Andrographis paniculata. This articles provides the dataset binding pattern of Andrographoilde and Vorinostat (SAHA) against their target protein (PDBIDs: 6G3O), respectively. The presented dataset showed that Andrographoilde may be a similar therapeutic agent for managing beta thalassemia as compare to Vorinostat

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Institutions

Raipur Institute of Technology

Categories

Bioinformatics

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