STUDI IN SILICO EKSTRAK BUNGA KECOMBRANG (Etlingera Elatior) SEBAGAI ANTIBAKTERI Staphylococcus Aureus DENGAN PENDEKATAN MOLECULAR DOCKING

FAN, MEYLIKA and Syarif, Nirwan and Shiyan, Shaum (2025) STUDI IN SILICO EKSTRAK BUNGA KECOMBRANG (Etlingera Elatior) SEBAGAI ANTIBAKTERI Staphylococcus Aureus DENGAN PENDEKATAN MOLECULAR DOCKING. Undergraduate thesis, Sriwijaya University.

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Abstract

Staphylococcus aureus infection is caused by a bacterium that colonizes various organs in the human body, particularly the upper respiratory tract, including the skin, nasal cavity, axilla, and inguinal area. The emergence of antibiotic-resistant S. aureus, known as MRSA and VRSA, presents a significant challenge in the treatment of such infections. Natural products, such as the torch ginger flower (Etlingera elatior), have potential as alternative antibacterial agents. This study aims to explore the major active compounds and their mechanisms of action in combating S. aureus through a molecular docking approach. The phytochemical analysis of torch ginger flower extract was conducted using GC-MS. Targets associated with Etlingera elatior and its antibacterial activity were predicted using the SwissTarget database. To assess the binding affinity between active components and their primary targets, molecular docking analysis was performed using AutoDock Vina. The analysis identified 12 active compounds: Erythritol, Glycerin, 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl, 1-Dodecanol, Dodecanoic acid, 1-Tetradecyl acetate, cis-9-Tetradecen-1-ol, 1-Hexadecanol, n-Hexadecanoic acid, 2,5-Furandione, 3-dodecyl, Dodecyl ester, and Z-11-Pentadecenol, which show potential as therapeutic agents against Staphylococcus aureus infection. The primary protein targets involved in inhibiting or treating S. aureus infection include DHFR (2W9S), PTA (4E4R), and UPPS (4H8E). Molecular docking results demonstrated a strong interaction between dodecanoic acid and UPPS (4H8E), with a binding affinity of -7.644 kcal/mol, indicating that dodecanoic acid forms a stable ligand-receptor complex and holds promise as a therapeutic candidate for Staphylococcus aureus infections.

Item Type:	Thesis (Undergraduate)
Uncontrolled Keywords:	Antibakteri, bunga kecombrang, in silico, molecular docking, Staphylococcus aureus
Subjects:	R Medicine > RS Pharmacy and materia medica > RS160-167 Pharmacognosy. Pharmaceutical substances (Plant, animal, and inorganic)
Divisions:	08-Faculty of Mathematics and Natural Science > 48201-Pharmacy (S1)
Depositing User:	Meylika Fan
Date Deposited:	28 Jul 2025 01:33
Last Modified:	28 Jul 2025 01:33
URI:	http://repository.unsri.ac.id/id/eprint/180508

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