Anti-Peri-implantitis Bacteria's Ability of Robusta Green Coffee Bean (Coffea Canephora) Ethanol Extract: An In Silico and In Vitro Study

Abstract

Objective: This study was aimed to investigate RGCBE extract as antioxidant and anti-peri-implantitis bacteria through in vitro study and its potential as antioxidant, antibacterial, anti-inflammatory, antibone resorption, and proosteogenic through in silico study.

Materials: AND METHODS: Absorption, distribution, metabolism, excretion and toxicity prediction, molecular docking simulation, and visualization of chlorogenic acid (CGA) and coumaric acid (CA) as anti-inflammatory, antioxidant, and antibacterial were investigated in silico. Inhibition zone by diffusion method, minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC) of RGCBE extract against Aggregatibacter actinomycetemcomitans (Aa), Porphyromonas gingivalis (Pg), Fusobacterium nucleatum (Fn), and Prevotella intermedia (Pi) were done.

Statistical analysis: the analysis of variance (ANOVA) difference test, and the post-hoc Tukey's Honest Significant Different (HSD) with a different significance value of p<0.05 RESULTS: GCA and CA compounds are good drug molecules and it has low toxicity. Chlorogenic acid have higher binding activity than coumaric acid to tumor necrosis factor (TNF)-α, nuclear factor (NF)-κB, receptor activation NF-κB (RANK) and its ligand (RANKL), interleukin (IL)-6, IL-10, runt related transcription factor (RUNX2), receptor activator nuclear Kappa beta Ligand-osteoprotegrin osteocalcin (RANKL-OPG), osteocalcin, nuclear factor associated T-cell 1 (NFATc1), tartate resistant acid phosphatase (TRAP), peptidoglycan, flagellin, dectin, Hsp70, and Hsp10 protein. RGCB ethanol extract has high antioxidant ability and it has MIC, MBC, and inhibit the growth of Aa, Pg, Fn, and Pi at 50% concentration with significantly different (p=0.0001 and<0.05).

Conclusion: RGCB ethanol extract has high antioxidant ability and 50% RGCB ethanol extract may act as strong anti-peri-implantitis bacteria in vitro. In addition, CGA in RGCB potential as antioxidant, antibacterial, anti-inflammatory, antibone resorption, and proosteogenic in silico.

Fig. 1

Molecular complex from docking simulation. ( A ) TNF-α_Chlorogenic acid, ( B ) NF-κB_Chlorogenic acid, ( C ) RANKL-RANK_Chlorogenic acid, ( D ) IL-6_Chlorogenic acid, ( E ) IL-10_Chlorogenic acid, ( F ) RUNX2_Chlorogenic acid, ( G ) RANKL-OPG_Chlorogenic acid, ( H ) Osteocalcin_Chlorogenic acid, ( I ) NFATC1_Chlorogenic acid, ( J ) TRAP_Chlorogenic acid, ( K ) Peptidoglycan_Chlorogenic acid, ( L ) Flagellin_Chlorogenic acid, ( M ) Dectin_Chlorogenic acid, ( N ) Hsp70_Chlorogenic acid, ( O ) Hsp10_Chlorogenic acid. IL, interleukin; NF, nuclear factor; TNF, tumor necrosis factor; RANK, receptor activation NF-κB; RANKL, RANK and its ligand.

Fig. 2

2D visualization of the position and types of chemical bond interactions in the protein-ligand complex. ( A ) TNF-α_Chlorogenic acid, ( B ) NF-κB_Chlorogenic acid, ( C ) RANKL-RANK_Chlorogenic acid, ( D ) IL-6_Chlorogenic acid, ( E ) IL-10_Chlorogenic acid, ( F ) RUNX2_Chlorogenic acid, ( G ) RANKL-OPG_Chlorogenic acid, ( H ) Osteocalcin_Chlorogenic acid, ( I ) NFATC1_Chlorogenic acid, ( J ) TRAP_Chlorogenic acid, ( K ) Peptidoglycan_Chlorogenic acid, ( L ) Flagellin_Chlorogenic acid, ( M ) Dectin_Chlorogenic acid, ( N ) Hsp70_Chlorogenic acid, ( O ) Hsp10_Chlorogenic acid. IL, interleukin; NF, nuclear factor; TNF, tumor necrosis factor; RANK, receptor activation NF-κB; RANKL, RANK and its ligand.

Fig. 3

( A ) The phytochemical analysis of RGCB ethanol extract contained flavonoid, saponin, quinon, alkaloid, tannin, trepenoid but not steroid. ( B ) The antioxidant test of RGCB ethanol extract has high antioxidant ability than vitamin C. RGCB, robusta green coffee bean.

Fig. 4

The antibacterial activity of RGCB ethanol extract toward Aggregatibacter actinomycetemcomitans . ( A ) The MIC of A. actinomycetemcomitans after administration of RGCB ethanol extract showed 50, 75, and 100% has strong antibacterial activity. ( B ) The MBC of A. actinomycetemcomitans after administration of RGCB ethanol extract showed 50, 75, and 100% has strong antibacterial activity. ( C ) The inhibitory zone using disk diffusion examination on A. actinomycetemcomitans after administration of RGCB ethanol extract showed 50% better than 25% antibacterial activity. *Information: significant different at p <0.05. MBC, minimum bactericidal concentration; MIC, minimum inhibitory concentration; RGCB, robusta green coffee bean.

Fig. 5

The antibacterial activity of RGCB ethanol extract toward Porphyromonas gingivalis . ( A ) The MIC of P. gingivalis after administration of RGCB ethanol extract showed 50, 75, and 100% has strong antibacterial activity. ( B ) The MBC of P. gingivalis after administration of RGCB ethanol extract showed 50, 75, and 100% has strong antibacterial activity. ( C ) the inhibitory zone using disk diffusion examination on P. gingivalis after administration of RGCB ethanol extract showed 50% better than 25% antibacterial activity. *Information: significant different at p <0.05. MBC, minimum bactericidal concentration; MIC, minimum inhibitory concentration; RGCB, robusta green coffee bean.

Fig. 6

The antibacterial activity of RGCB ethanol extract toward Fusobacterium nucleatum . ( A ) the MIC of F. nucleatum after administration of RGCB ethanol extract showed 50%, 75%, 100% has strong antibacterial activity. ( B ) the MBC of F. nucleatum after administration of RGCB ethanol extract showed 50, 75, and 100% has strong antibacterial activity. ( C ) the inhibitory zone using disk diffusion examination on F nucleatum after administration of RGCB ethanol extract showed 50% better than 25% antibacterial activity. *Information: significant different at p <0.05. MBC, minimum bactericidal concentration; MIC, minimum inhibitory concentration; RGCB, robusta green coffee bean.

Fig. 7

The antibacterial activity of RGCB ethanol extract toward Prevotella intermedia . ( A ) the MIC of P. intermedia after administration of RGCB ethanol extract showed 50, 75, and 100% has strong antibacterial activity. ( B ) the MBC of P. intermedia after administration of RGCB ethanol extract showed 50, 75, and 100% has strong antibacterial activity. ( C ) the inhibitory zone using disk diffusion examination on P. intermedia after administration of RGCB ethanol extract showed 50% better than 25% antibacterial activity. *Information: significant different at p <0.05. MBC, minimum bactericidal concentration; MIC, minimum inhibitory concentration; RGCB, robusta green coffee bean.