Molecular Docking of Cannabinoids: Achieving Binding Energies Exceeding –13 kcal/mol for His178 and Predicted Potency Over HU-210. Human Cannabinoid CB1 Receptor.

Yaroslav Zaitsev

doi:10.5281/zenodo.18444783

February 1, 2026Open Access

Molecular Docking of Cannabinoids: Achieving Binding Energies Exceeding –13 kcal/mol for His178 and Predicted Potency Over HU-210. Human Cannabinoid CB1 Receptor.

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Key Points

The aim is to investigate the binding interactions of cannabinoids with the human CB1 receptor, specifically focusing on His178.
Conducted molecular docking analysis of cannabinoids with the CB1 receptor.
Analyzed binding interactions, focusing on residues such as His178 and others within the binding pocket.
Determined binding energies to evaluate the stability of cannabinoid interactions.
Achieved binding energies exceeding -13 kcal/mol for the interaction with His178.
Identified stable interaction network involving His178, Met109, K376, F108, and K367.
Observed potential for enhanced potency compared to HU-210.

Implication

Molecular docking reveals high-binding energies in human CB1 receptors, indicating potential therapeutic efficacy.

Abstract

The amino acid residue His178 mediates highly effective agonism, even in cases of flexible binding modes as observed with HU-210. Docking analysis of the test structures revealed a distinct network of stable interactions involving His178, Met109, K376, F108, and K367. This configuration results in multidentate coordination and bilateral stabilization within the deep binding pocket:

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Cite This Study

Yaroslav Zaitsev (2026) studied this question.

synapsesocial.com/papers/6980ff49c1c9540dea812301 https://doi.org/10.5281/zenodo.18444783

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Molecular Docking of Cannabinoids: Achieving Binding Energies Exceeding –13 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 –13 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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