Computational Design of Bioactive Epigallocatechin Gallate (EGCG) Analogues Targeting Heme Oxygenase-1 (HO-1) Pathway for Metabolic Regulation
Abstract:
Epigallocatechin-gallate
(EGCG) is a flavone-based natural product that has a more significant impact on
Diabetes and other cardiometabolic complications. This in silico based
computer-aided drug design ensures the drug's Pharmacokinetic parameters and
particular compounds towards the precise target. Based on the network data
designed, EGCG were docked against PDB: 1N3U, using Dimethyl fumarate as the
standard reference. Such desirable quality of modified EGCG will create a spark
in the novel drug discovery of a bioenhancer. This slight evidence will support
a higher quantum of drug discovery in semisynthetic chemistry toward Metabolic
Complications.
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