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Molecular docking analysis of glycyrrhizin interactions with ACE2 and tyrosinase: implications for inflammatory and pigmentation-associated pathways

Leyla Galandarli^1*, Ralphreed Gasanov², Gulnara Akverdieva³

“Young Talents” Lyceum, Baku State University, 53 Ahmad Jamil Str., AZ1141, Baku, Azerbaijan
Bioengineering Research Laboratory, Baku State University, 33 Academician Zahid Khalilov Str., AZ1148, Baku, Azerbaijan
Institute for Physical Problems, Baku State University, 33 Academician Zahid Khalilov Str., AZ1148, Baku, Azerbaijan

*For correspondence:leyla_aktau@mail.ru

Leyla Galandarli: https://orcid.org/0009-0006-3290-9157 Ralphreed Gasanov: https://orcid.org/0000-0002-8102-7154 Gulnara Akverdieva: https://orcid.org/0000-0003-1851-2234

Abstract

Currently, traditional herbal medicines are used as complementary agents in the management of viral and inflammatory disorders. In the present study, the interactions of glycyrrhizin (ChemSpider ID: 14263) with ACE2 (PDB ID: 6LZG) and tyrosinase (PDB ID: 2ZMX) were investigated to evaluate its potential relevance to ACE2-associated inflammatory pathways and pigmentation-related molecular mechanisms. Docking simulations were performed using AutoDock Vina software. It was shown that the ligand molecule binds to the active sites of the selected receptors and forms several key intermolecular interactions. Glycyrrhizin exhibited binding affinity values of −7.4 and −7.1 kcal/mol with 6LZG and 2ZMX protein targets, respectively. These findings suggest that glycyrrhizin may serve as a promising molecular scaffold for further investigation of ACE2- and tyrosinase-associated pathways. Based on the calculated results and SAR data analysis, pharmacophore models for glycyrrhizin interaction with the specified receptors were proposed. Although the obtained docking results indicate favorable ligand–receptor interactions, further molecular dynamics simulations and experimental validation are required to confirm the biological relevance of these findings.

Acknowledgements

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Ethical Considerations

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Funding

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Conflict of Interest

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Received: February 25, 2026; Reviewed: April 08, 2026; Accepted: May 29, 2026

DOI:

https://doi.org/10.62088/timbb/10.1.8

Keywords:

Glycyrrhizin, ACE2, tyrosinase, molecular docking, pharmacophore model

How to cite

Galandarli L., Gasanov R., Akverdieva G. (2026). Molecular docking analysis of glycyrrhizin interactions with ACE2 and tyrosinase: implications for inflammatory and pigmentation-associated pathways. TIMBB, 10 (1), 72-86.

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