Identification of a Reaction Intermediate and Mechanism of Action of Intermediary Enzymes in Plumbagin Biosynthetic Pathway Using Molecular Dynamics Simulation

Identification of a Reaction Intermediate and Mechanism of Action of Intermediary Enzymes in Plumbagin Biosynthetic Pathway Using Molecular Dynamics Simulation

The biosynthesis of plumbagin is known to occur via the acetate polymalonate pathway; however there are several intermediary steps that remain unidentified that leads to its synthesis. The study identifies enzyme naphthoate synthase to catalyze the cyclization of O-malonyl benzoyl CoA to form an int...

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Bibliographic Details
Main Authors: Muralidharan K S, Roopa Lalitha, Shanmugam Girija, Pravin Kumar R, Akshai P S, Meghana N Swamy, Nayana M, Malaiyandi Jayanthi
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:Catalysts
Subjects:
plumbagin
naphthoate synthase
thioesterase
molecular dynamics simulation
quantum mechanics
Online Access:https://www.mdpi.com/2073-4344/10/3/280

Internet

https://www.mdpi.com/2073-4344/10/3/280

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