Molecular Dynamics Simulation of Tryptophan Hydroxylase-1: Binding Modes and Free Energy Analysis to Phenylalanine Derivative Inhibitors

Molecular Dynamics Simulation of Tryptophan Hydroxylase-1: Binding Modes and Free Energy Analysis to Phenylalanine Derivative Inhibitors

Serotonin is a neurotransmitter that modulates many central and peripheral functions. Tryptophan hydroxylase-1 (TPH1) is a key enzyme of serotonin synthesis. In the current study, the interaction mechanism of phenylalanine derivative TPH1 inhibitors was investigated using molecular dynamics (MD) sim...

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Bibliographic Details
Main Authors: Zhong, Hao, Huang, Wei, He, Gu, Peng, Cheng, Wu, Fengbo, Ouyang, Liang
Format: Online
Language:English
Published: Molecular Diversity Preservation International (MDPI) 2013
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3676822/

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https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3676822/

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