A Computational Investigation of Potential 5-HT 2C Receptor Inhibitors for Treating Schizophrenia by ADMET Profile Analysis, Molecular Docking, DFT, Network Pharmacology, and Molecular Dynamic Simulation

A Computational Investigation of Potential 5-HT 2C Receptor Inhibitors for Treating Schizophrenia by ADMET Profile Analysis, Molecular Docking, DFT, Network Pharmacology, and Molecular Dynamic Simulation

Background: Schizophrenia manifests through behavioral abnormalities, suicidal ideation, and neuropsychological deficits. Hence, this study focused on 5-hydroxytryptamine (5-HT 2C) which influenced the modulation of the series of events that lead to schizophrenia. Methodology: Based on the computati...

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Bibliographic Details
Main Authors: Mohammed Raihan Uddin, Mahira Rahman, Mosammad Jannatun Nayem Rafin, Joya Datta Ripa
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Chemistry Proceedings
Subjects:
schizophrenia
5 HT-C
small molecule inhibitors
actinodaphnine
ephemeranthoquinone
molecular dynamics simulation
Online Access:https://www.mdpi.com/2673-4583/16/1/69
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