Anti-Periodontopathogenic Ability of Mangrove Leaves (Aegiceras corniculatum) Ethanol Extract: In silico and in vitro study

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. Purpose 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.

Antibacterial activity of Stachytarpheta jamaicensis (L.) Vahl roots extract on some bacteria proteins: An in silico and in vitro study

“…After that, 1 mL of standardized bacterial suspension with McFarland turbidity 0.5 (1.5 × 10 8 ) CFU/mL was put into each test tube containing 1 mL of the extract with eight different concentrations: 125, 250, 500, 1000, 2000, 4000, 8000 µg/mL and each positive control. The test tube was then cultured to determine the effect of SJRE on the growth of bacteria, after which the absorbance of the tube was measured using a 722AP UV-Vis Spectrophotometer (λ = 460 nm) (Nugraha et al, 2022a).…”

“…The BHIB media were put into an anaerobic incubator and incubated for 1 × 24 hours at 37°C. After the bacteria sample was cultured on BHIB media, then a suspension was made by taking bacteria from the media using a sterile tube and then putting it into a test tube containing 1 mL of sterile BHIB, then incubated under anaerobic conditions in 5% CO2 at 37°C for 1 × 24 h. After that, dilute sterile distilled water and homogenize until the turbidity is comparable to the standard Mc Farland 0.5 (1.5 × 10 8 ) (Nugraha et al, 2022a). Metronidazole gel (25%) and sodium hypochlorite (2.5%) were used to assess the MIC values of the reference strains.…”

“…After that, the number of bacteria was counted by a colony counter. If the result of relying on the number of bacterial colonies was zero (no bacteria), then the MBC was obtained (Nugraha et al, 2022a).…”

“…The targets used in this study were TNF-α, NF-κB, RANKL-RANK, IL-6, IL-10, peptidoglycan, flagellin, and dectin. 3D structure information, visualization method, Uniprot ID, PDB ID, resolution (Å), weight (kDa), sequence length (mer), and chain were obtained from the RCSB PDB database (https://www.rcsb.org/) (Nugraha et al, 2022a).…”

“…Pathogenic microbes can infect host cells and lead to an inflammation process in the tissue. For example, periodontal disease is an inflammatory response to tissue infection caused by pathogenic mouth bacteria (Nugraha et al, 2022a;Ramadhani et al, 2020a). Based on Basic Health Research by the Indonesian Ministry of Health in 2018, the prevalence of periodontitis in Indonesia is 74.1%.…”