Molecular Docking of Cannabinoids: Achieving Binding Energies Exceeding –11 kcal/mol for His178 and Predicted Potency Over HU-210. Human Cannabinoid CB1 Receptor.

Yaroslav Zaitsev

doi:10.5281/zenodo.18444784

January 30, 2026Open Access

Molecular Docking of Cannabinoids: Achieving Binding Energies Exceeding –11 kcal/mol for His178 and Predicted Potency Over HU-210. Human Cannabinoid CB1 Receptor.

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Key Points

Explore the binding interactions of cannabinoids, focusing on the amino acid residue His178 in the CB1 receptor.
Conducted molecular docking simulations with cannabinoids targeting CB1 receptor
Analyzed binding energy interactions specifically with His178 and surrounding residues
Evaluated the accessibility of the binding pocket during the analysis
Achieved binding energies exceeding -11 kcal/mol for His178
Identified a unique interaction network involving His178, Met109, and K376
Predicted potency of cannabinoids surpassing HU-210

Implication

Docking analysis identifies high-efficacy binding interactions in a human cannabinoid receptor, suggesting therapeutic potential.

Abstract

The amino acid residue His178 mediates high-efficacy agonism (as seen with HU-210) but exhibits limited accessibility. Docking analysis of the test structure revealed a unique interaction network involving His178, Met109, and the K376 within the deep binding pocket:

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Cite This Study

Yaroslav Zaitsev (2026) studied this question.

synapsesocial.com/papers/6980fed9c1c9540dea811429 https://doi.org/10.5281/zenodo.18444784

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Molecular Docking of Cannabinoids: Achieving Binding Energies Exceeding –11 kcal/mol for His178 and Predicted Potency Over HU-210. Human Cannabinoid CB1 Receptor.

Key Points

Implication

Abstract

Discussion

Cite This Study

Molecular Docking of Cannabinoids: Achieving Binding Energies Exceeding –11 kcal/mol for His178 and Predicted Potency Over HU-210. Human Cannabinoid CB1 Receptor.

Key Points

Implication

Abstract

Discussion

Cite This Study

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