Chemical Profiling and In Silico Docking of Phytoconstituents as Prospective Immune Modulating Agents: Investigating The Therapeutic Potential of Fermented Garlic Honey
Wulansari, D., Khotib, J., Mustika, A., Herawati, F., Yulia, R., Yuniarta, T., Alkindi, F., Azminah, A. (2025). Chemical Profiling and In Silico Docking of Phytoconstituents as Prospective Immune Modulating Agents: Investigating The Therapeutic Potential of Fermented Garlic Honey. EKB Journal Management System, (), -. doi: 10.21608/ejchem.2025.379956.11668
Devyani Diah Wulansari; Junaidi Khotib; Arifa Mustika; Fauna Herawati; Rika Yulia; Tegar Achsendo Yuniarta; Fawandi Fuad Alkindi; Azminah Azminah. "Chemical Profiling and In Silico Docking of Phytoconstituents as Prospective Immune Modulating Agents: Investigating The Therapeutic Potential of Fermented Garlic Honey". EKB Journal Management System, , , 2025, -. doi: 10.21608/ejchem.2025.379956.11668
Wulansari, D., Khotib, J., Mustika, A., Herawati, F., Yulia, R., Yuniarta, T., Alkindi, F., Azminah, A. (2025). 'Chemical Profiling and In Silico Docking of Phytoconstituents as Prospective Immune Modulating Agents: Investigating The Therapeutic Potential of Fermented Garlic Honey', EKB Journal Management System, (), pp. -. doi: 10.21608/ejchem.2025.379956.11668
Wulansari, D., Khotib, J., Mustika, A., Herawati, F., Yulia, R., Yuniarta, T., Alkindi, F., Azminah, A. Chemical Profiling and In Silico Docking of Phytoconstituents as Prospective Immune Modulating Agents: Investigating The Therapeutic Potential of Fermented Garlic Honey. EKB Journal Management System, 2025; (): -. doi: 10.21608/ejchem.2025.379956.11668

Chemical Profiling and In Silico Docking of Phytoconstituents as Prospective Immune Modulating Agents: Investigating The Therapeutic Potential of Fermented Garlic Honey

Egyptian Journal of Chemistry
Articles in Press, Accepted Manuscript, Available Online from 21 July 2025  XML
Document Type: Original Article
DOI: 10.21608/ejchem.2025.379956.11668
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Authors
Devyani Diah Wulansariorcid 1, 2; Junaidi Khotib email orcid 3; Arifa Mustikaorcid 4; Fauna Herawatiorcid 2; Rika Yuliaorcid 2; Tegar Achsendo Yuniartaorcid 5; Fawandi Fuad Alkindiorcid 5; Azminah Azminahorcid 5
1Doctoral Program of Medical Science, Faculty of Medicine, Universitas Airlangga, Indonesia
2Department of Clinical and Community Pharmacy, Faculty of Pharmacy, Universitas Surabaya, Surabaya, Indonesia
3Department of Pharmacy Practice, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia
4Department of Pharmacology, Faculty of Medicine Universitas Airlangga, Surabaya, Indonesia
5Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Surabaya, Surabaya, Indonesia
Abstract
Abstract

Fermented Garlic Honey is a combination of honey and garlic (Allium sativum L.) that undergoes extraction and fermentation with varied soaking times. The combination of these two herbs will likely have a synergistic therapeutic effect that can be used as a functional food to promote a healthy lifestyle. This method evaluates chemicals in a sample based on the length of fermentation time, allowing it to predict the compounds that contribute to its biological activity. FTIR and LC-HRMS were used to identify secondary metabolites in Fermented Garlic Honey (FGH). Principal component analysis (PCA) may easily distinguish between samples based on the extraction solvent. LC-HRMS is an advanced analytical technique identifying 29 compounds in Raw Honey and 31, 34, and 34 compounds in the FGH at 2, 4, and 6 weeks samples, respectively. The bioactive substances meglutol, Gamma Glutamyl-S-Methylcysteine, Gamma Glutamyl-S-Allylcysteine, and S-Allylcysteine were found in the four samples and have been suggested to have therapeutic benefits as immunomodulating agents. Furthermore, Molegro Virtual Docker 7 has been utilized to predict the possible mode of action of the selected bioactive compounds. Among the compounds tested, Gamma-glutamyl-S-allylcysteine exhibited the most optimal interaction in three receptors (Caspase-1, INOS, and IL-1β). Our results imply that these bioactive chemicals found in FGH are predicted to have potential immunomodulatory capabilities, nevertheless still require verification through in vivo or in vitro studies.

Keywords: Honey; Garlic; Obesity; Diabetes; Healthy lifestyle; S-Allylcysteine
Keywords
Honey; Garlic; Obesity; Diabetes; Healthy lifestyle; S-Allylcysteine
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