Ligand discrimination during virtual screening of the CB1 cannabinoid receptor crystal structures following cross-docking and microsecond molecular dynamics simulations

The therapeutic potential of the CB1 cannabinoid receptor remains underexploited with only a few synthetic ligands on the market. The crystal structures of both the inactive and active-state CB1 receptor have recently been solved, allowing for unprecedented opportunities in structure-based drug disc...

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Detalles Bibliográficos
Autores principales: Loo, Jason S. E., Emtage, Abigail L., Murali, Lahari, Lee, Sze Siew, Kueh, Alvina L. W., Alexander, Stephen P. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064321/
https://www.ncbi.nlm.nih.gov/pubmed/35521393
http://dx.doi.org/10.1039/c9ra01095e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064321/
https://www.ncbi.nlm.nih.gov/pubmed/35521393
http://dx.doi.org/10.1039/c9ra01095e

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