A Single Point Mutation Blocks the Entrance of Ligands to the Cannabinoid CB

Autor:	Nil, Casajuana-Martin, Gemma, Navarro, Angel, Gonzalez, Claudia, Llinas Del Torrent, Marc, Gómez-Autet, Aleix, Quintana García, Rafael, Franco, Leonardo, Pardo
Rok vydání:	2022
Předmět:	Receptor Cannabinoid CB2 Binding Sites Receptor Cannabinoid CB1 Cannabinoids Lipid Bilayers Point Mutation Ligands Receptors Cannabinoid Protein Binding
Zdroj:	Journal of chemical information and modeling. 62(22)
ISSN:	1549-960X
Popis:	Molecular dynamic (MD) simulations have become a common tool to study the pathway of ligand entry to the orthosteric binding site of G protein-coupled receptors. Here, we have combined MD simulations and site-directed mutagenesis to study the binding process of the potent JWH-133 agonist to the cannabinoid CB
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::dd507f507751a27ab23a618e2942e4a6 https://pubmed.ncbi.nlm.nih.gov/36302505 Zobrazit plný text záznamu