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Potential Antibacterial of Leaf Sirih Merah Against Enterococcus faecalis ATCC 29212 Bacteria
Trisna Yuliana1, Devi Meliani2, Dikdik Kurnia2
1Department of Chemistry, Faculty of Science & Informatic, Universitas Jenderal Achmad Yani, Cimahi, Indonesia.
Background:
Dental root canal failure is a disease caused by gram-positive bacteria, Enterococcus faecalis. The disease is caused by the bacterial cell wall consisting of a peptidoglycan layer that protects the bacteria from internal osmotic pressure. Peptidoglycan biosynthesis includes many enzymes, such as MurA, Penicillin-binding protein (PBP), and SrtA. Herbal plants are a source of bioactive compounds, including antibacterial agents. There is information that red betel leaves, also known as Piper crocatum, contain active substances such as flavonoids, terpenoids, and steroids. However, there is no additional information on the antibacterial properties of P. crocatum and the molecular mechanisms that affect the cell wall of E. faecalis ATCC 29212 bacteria.
Objective:
This study aims to determine the antibacterial activity of the extract in vitro, screen and study the antibacterial compounds of red betel leaves against oral pathogenic bacteria, namely E.faecalis ATCC 29212 through molecular docking.
Methods:
The n-hexan:ea (9:1) fraction of P. crocatum extract was tested for inhibition zones against E. faecalis ATCC 29212 bacteria, fractions that had positive results were then identified using the LC-MS method. The LC-MS resulting compounds were tested using in silico.
Results:
Antibacterial in the n-hexane: ethyl acetate (9:1) fraction of Red Betel Leaf has the best concentration of 10% with a moderate inhibition zone category. LC-MS test results identified compounds including Longicamphenylone, m/z 207, Nootkatone m/z 219, and Tridecanal m/z 221. Molecular interactions between these compounds with target proteins, namely MurA, PBP, and SrtA, show lower binding affinity values than natural ligands and positive controls for each protein.
Conclusion:
Nootkatone compounds demonstrated potential as MurA and PBP inhibitors, while Longicamphenylone compounds showed potential as SrtA inhibitors. Both compounds have the potential to inhibit peptidoglycan biosynthesis and bacterial cell wall formation through docking simulations.
Insights
Red betel leaf compounds Nootkatone and Longicamphenylone show potential antibacterial activity against Enterococcus faecalis by inhibiting cell wall biosynthesis. Molecular docking simulations suggest these compounds can target key enzymes involved in peptidoglycan formation.
Area of Science:
- Natural Product Chemistry
- Microbiology
- Computational Biology
Background:
- Dental root canal failure is linked to Gram-positive bacteria, particularly Enterococcus faecalis.
- Bacterial cell wall integrity, maintained by peptidoglycan biosynthesis enzymes like MurA, PBP, and SrtA, is crucial for survival.
- Red betel leaf (Piper crocatum) is known to contain bioactive compounds, but its specific antibacterial mechanisms against E. faecalis were uninvestigated.
Purpose of the Study:
- To evaluate the in vitro antibacterial activity of Piper crocatum extracts against E. faecalis ATCC 29212.
- To identify and characterize antibacterial compounds from red betel leaves.
- To investigate the molecular mechanisms of these compounds against E. faecalis using molecular docking.
Main Methods:
- Fractionation of Piper crocatum extract using n-hexane:ethyl acetate (9:1).
- Determination of antibacterial activity via inhibition zone testing against E. faecalis ATCC 29212.
- Identification of active compounds using Liquid Chromatography-Mass Spectrometry (LC-MS).
- In silico molecular docking simulations against target proteins (MurA, PBP, SrtA).
Main Results:
- The n-hexane:ethyl acetate (9:1) fraction exhibited moderate antibacterial activity against E. faecalis at 10% concentration.
- LC-MS analysis identified Longicamphenylone (m/z 207), Nootkatone (m/z 219), and Tridecanal (m/z 221).
- Molecular docking revealed that Nootkatone and Longicamphenylone had lower binding affinities to MurA, PBP, and SrtA compared to natural ligands and positive controls.
Conclusions:
- Nootkatone shows potential as an inhibitor of MurA and Penicillin-binding protein (PBP).
- Longicamphenylone demonstrates potential as a SrtA inhibitor.
- These red betel leaf compounds may effectively inhibit peptidoglycan biosynthesis and bacterial cell wall formation in E. faecalis.
