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ABSTRACT: Objective
Mangrove (Aegiceras corniculatum) is an abundant natural marine resource of Indonesia, which can be explored for treating periodontal disease due to its potential as immunoregulatory, antibacterial, and antioxidant properties. The objective of this study was to investigate the active compound from Indonesian mangrove leaf extract (A. corniculatum) (MLE) for developing a herbal-based mouthwash through in silico and in vitro studies.Materials and methods
Phytochemistry and liquid chromatography-high resolution mass spectrometry (LC-HRMS) were done to explore the active compounds in MLE. Chemistry screening and interaction, absorption, distribution, metabolism, and excretion (ADME), molecular docking simulation, and visualization of MLE active compounds as anti-inflammatory, antioxidant, and antibacterial were investigated in silico The inhibition zone of MLE against Aggregatibacter actinomycetemcomitans (Aa), Porphyromonas gingivalis (Pg), and Fusobacterium nucleatum (Fn) as periodontopathogenic bacterias was performed by diffusion method. Doxycycline 100 mg was used as a positive control, as a treatment group, there were five groups, namely 0%, 25%, 50%, 75%, and 100% MLE.Results
Alkaloid, saponin, flavonoid, triterpenoid, steroid, tannin, and quinone were detected in MLE. A high concentration of (-)epicatechin and coumaric acid (CA) were found in MLE. MLE in 100% concentration has the most effective ability to inhibit Fn, Pg, Aa growth in vitro. (-)-Epicatechin has a higher negative binding affinity than CA that can enhance heat shock protein (HSP)-30, HSP-70, HSP-90, interleukin-10, and FOXP3 and also inhibit interleukin-6, peptidoglycan, flagellin, and dectin in silico.Conclusion
MLE of A. corniculatum has antioxidant, anti-inflammatory, and antibacterial activities that can be a potential raw material for developing a herbal-based mouthwash.
SUBMITTER: Nugraha AP
PROVIDER: S-EPMC9949921 | biostudies-literature | 2023 Feb
REPOSITORIES: biostudies-literature
Nugraha Alexander Patera AP Sibero Mada Triandala MT Nugraha Albertus Putera AP Puspitaningrum Martining Shoffa MS Rizqianti Yuniar Y Rahmadhani Desintya D Kharisma Viol Dhea VD Ramadhani Nastiti Faradilla NF Ridwan Rini Devijanti RD Noor Tengku Natasha Eleena Binti Tengku Ahmad TNEBTA Ernawati Diah Savitri DS
European journal of dentistry 20220422 1
<h4>Objective</h4> Mangrove (<i>Aegiceras corniculatum</i>) is an abundant natural marine resource of Indonesia, which can be explored for treating periodontal disease due to its potential as immunoregulatory, antibacterial, and antioxidant properties. The objective of this study was to investigate the active compound from Indonesian mangrove leaf extract (<i>A. corniculatum</i>) (MLE) for developing a herbal-based mouthwash through <i>in silico</i> and <i>in vitro</i> studies.<h4>Materials and ...[more]