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

Read full text
Authors: Yaroslav Zaitsev
Cited by: 0

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