This work demonstrates molecular docking of GPR55 antagonists, achieving strong binding in accessible compounds, suggesting good use in pharmacology.
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:
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Yaroslav Zaitsev (2026) studied this question.
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