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 | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2025.379956.11668 | ||
| Authors | ||
| Devyani Diah Wulansari1, 2; Junaidi Khotib* 3; Arifa Mustika4; Fauna Herawati2; Rika Yulia2; Tegar Achsendo Yuniarta5; Fawandi Fuad Alkindi5; Azminah Azminah5 | ||
| 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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