Title : Molecular Docking and Molecular Dynamics Simulation Studies of Triterpenes from Vernonia patula with the Cannabinoid Type 1 Receptor.

Pub. Date : 2021 Mar 30

PMID : 33808384






2 Functional Relationships(s)
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Sentence
Compound Name
Protein Name
Organism
1 Molecular docking studies showed that friedelin, alpha-amyrin, and epifriedelanol had the strongest binding affinity towards CB1. beta-amyrin cannabinoid receptor 1 Homo sapiens
2 Molecular dynamics simulation studies revealed that friedelin and alpha-amyrin engaged in stable non-bonding interactions by binding to a pocket close to the active site on the surface of the CB1 target protein. beta-amyrin cannabinoid receptor 1 Homo sapiens