Molecular Docking of Accessible Cannabinoid GPR55 Antagonists: Achieving Binding Energies Exceeding –10.6 kcal/mol and Predicted Similar Potency Over PSB-SB-487 Human G-PROTEIN RECEPTOR 55
Abstract
CID16020046 is the most readily available and widely used GPR55 inverse agonist, despite its relatively complex heterochemical structure. Psb-SB-487 is less readily available, although it exhibits higher affinity for the receptor and greater selectivity. Clearly, availability is often a priority in both experimental pharmacology and industrial pharmaceuticals. This work demonstrates the molecular docking of GPR55 receptor antagonists with extremely accessible synthesis and ease of use, as well as higher affinity than CID16020046 and comparable to Psb-SB-487. The presented structures are water-soluble amino acid derivatives of BENZOIN, characterized by high lipophilicity and water solubility, simple and accessible pharmacological synthesis, and the absence of highly toxic ligands:
Fields of Study & Subjects
Cannabis and Cannabinoid Research
Computational Drug Discovery Methods
Receptor Mechanisms and Signaling
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 4 February 2026
- Language
- EN
- Document type
- Preprint