In Silico Molecular Docking and In Vivo Validation with Caenorhabditis elegans to Discover Molecular Initiating Events in Adverse Outcome Pathway Framework: Case Study on Endocrine-Disrupting Chemicals with Estrogen and Androgen Receptors

In Silico Molecular Docking and In Vivo Validation with Caenorhabditis elegans to Discover Molecular Initiating Events in Adverse Outcome Pathway Framework: Case Study on Endocrine-Disrupting Chemicals with Estrogen and Androgen Receptors

Molecular docking is used to analyze structural complexes of a target with its ligand for understanding the chemical and structural basis of target specificity. This method has the potential to be applied for discovering molecular initiating events (MIEs) in the Adverse Outcome Pathway framework. In...

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Bibliographic Details
Main Authors: Jaeseong Jeong, Hunbeen Kim, Jinhee Choi
Format: Article
Language:English
Published: MDPI AG 2019-03-01
Series:International Journal of Molecular Sciences
Subjects:
molecular initiating event
endocrine-disrupting chemicals
molecular docking
reproductive toxicity
Caenorhabditis elegans
Tox21
Online Access:http://www.mdpi.com/1422-0067/20/5/1209

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http://www.mdpi.com/1422-0067/20/5/1209

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