Profiling Bioactive Compounds and Antimicrobial Potential of Clove (Syzygium aromaticum L.) Varieties of Sikotok, Siputih, and Zanzibar Extracts Using Gas Chromatography-Mass Spectrometry and Molecular Docking Analysis

Kiramang, Khaerani; Alam, Gemini; Natsir, Asmuddin; Purwanti, Sri; Mujnisa, A.

doi:10.21608/ejchem.2025.327043.10604

	Profiling Bioactive Compounds and Antimicrobial Potential of Clove (Syzygium aromaticum L.) Varieties of Sikotok, Siputih, and Zanzibar Extracts Using Gas Chromatography-Mass Spectrometry and Molecular Docking Analysis
Egyptian Journal of Chemistry
Volume 68, Issue 10, October 2025, Page 61-70 PDF (832.62 K)
Document Type: Original Article
DOI: 10.21608/ejchem.2025.327043.10604
View on SCiNiTO
Authors
Khaerani Kiramang ¹; Gemini Alam ²; Asmuddin Natsir ³; Sri Purwanti ³; A. Mujnisa ³
¹Faculty of Science and Technology, Islamic State of Alauddin University, Makassar, 92118, Indonesia
²Department of Pharmacognosy-Phytochemistry, Faculty of Pharmacy, Hasanuddin University, Makassar 90245, Indonesia
³Faculty of Animal Science, Hasanuddin University, Makassar, 90245, Indonesia
Abstract
Clove (Syzygium aromaticum L.) is widely recognized for its rich phytochemical profile and traditional use as a natural remedy with antimicrobial properties. This study aimed to investigate the phytochemical composition of 3 clove varieties, namely Sikotok, Siputih, and Zanzibar using gas chromatography-mass spectrometry (GC-MS). The potential antimicrobial compounds were evaluated through in molecular docking studies against Staphylococcus aureus (3U2D) and Escherichia coli (6NTZ) proteins. Clove extracts from young, mature, and fallen leaves were subjected to GC-MS analysis to identify bioactive compounds, focusing on those with a relative abundance greater than 1%. A total of 12 compounds were identified, with significant variations in relative abundances and retention times. The major compounds detected across all varieties were m-eugenol (25.65-58.49%), caryophyllene (7.63-14.39%), and hexatriacontane (0.59-43.184%). Other compounds, such as eugenol, humulene, α-farnesene, eugenol acetate, caryophyllene oxide, sandaracopimaradiene, lupeol, squalene, and nonacosane, were detected in selected samples. The result of molecular docking showed that α-farnesene (-7.2 kcal/mol and -7.4 kcal/mol), sandaracopimaradiene (-6.8 kcal/mol and -6.3 kcal/mol), and eugenol acetate (-6.2 kcal/mol) had significant binding affinities to target proteins 3U2D and 6NTZ, with other major compounds showing binding energies ranging from 5.5 to 5.8 kcal/mol. In conclusion, this study showed the importance of the clove variety in enhancing the antimicrobial potential of extracts, particularly with the Sikotok and Zanzibar varieties, which had higher concentrations of phenolic compounds and terpenoids in young leaves. These results provided valuable insights into the future applications of natural antimicrobial agents.
Keywords
Clove; GC-MS; antimicrobial; molecular docking; phytochemicals


Statistics Article View: 310 PDF Download: 84