Stachytarpheta jamaicensis antibacterial activity

J. Pharm. Pharmacogn. Res., vol. 10, no. 6, pp. 1087-1102, November-December 2022.

DOI: https://doi.org/10.56499/jppres22.1474_10.6.1087

Original Article

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

[Actividad antibacteriana del extracto de raíces de Stachytarpheta jamaicensis (L.) Vahl sobre algunas proteínas bacterianas: un estudio in silico e in vitro]

Juliyatin Putri Utami1*, Sherli Diana2, Rahmad Arifin3, Irham Taufiqurrahman4, Kholifa Aulia Nugraha5, Milka Widya Sari5, Rizky Yoga Wardana5

1Department of Biomedicine, Faculty of Dentistry, University of Lambung Mangkurat, Banjarmasin, Indonesia.

 2Department of Conservative Dentistry, Faculty of Dentistry, University of Lambung Mangkurat, Banjarmasin, Indonesia.

3Department of Prosthodontic, Faculty of Dentistry, University of Lambung Mangkurat, Banjarmasin, Indonesia.

4Departement of Oral Maxillofacial Surgery, Faculty of Dentistry, University of Lambung Mangkurat, Banjarmasin, Indonesia.

5Undergraduate of Dentistry Program, Faculty of Dentistry, University of Lambung Mangkurat, Banjarmasin, Indonesia.

*E-mail: juliyatin.utami@ulm.ac.id

Abstract

Context: Stachytarpheta jamaicensis (L.) Vahlplant is used for traditional therapy because of its content, including flavonoids, alkaloids, tannins, saponins, terpenoids, and coumarins.

Aims: To determine the antibacterial ability of S. jamaicensis roots extract (SJRE) on some selected mouth bacteria through in vitro and in silico studies.

Methods: Phytochemical analysis and liquid chromatography-high resolution mass spectrometry (LC-HRMS) were done to explore the active compounds on SJRE. Absorption, distribution, metabolism, excretion and toxicity prediction, molecular docking simulation and visualization of luvangetin, and xanthyletin as anti-inflammatory and antibacterial were investigated in silico. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of SJRE against Aggregatibacter actinomycetemcomitans, Enterococcus faecalis, and Actinomyces spp. were calculated.

Results: Luvangetin and xanthyletin are good candidate drug molecules with low toxicity. Xanthyletin has higher binding activity than luvangetin to TNF-α, IL-6, IL-10, peptidoglycan, flagellin, and dectin protein. SJRE exhibited a high antibacterial ability, and MIC. This extract inhibits the growth of A. actinomycetemcomitans, E. faecalis and Actinomyces spp. at various concentrations 2000, 8000, and 8000 µg/mL, respectively, with statistically significant differences (p = 0.0001; p<0.05).

Conclusions: SJRE has an antibacterial ability, and 2000 µg/mL SJRE may act as an antibacterial agent in vitro. In addition, xanthyletin in SJRE has a potential role as an antibacterial and anti-inflammatory in silico.

Keywords: communicable disease; dentistry; infectious disease; medicine; periodontal disease.

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Resumen

Contexto: La planta de Stachytarpheta jamaicensis (L.) Vahl se utiliza para la terapia tradicional por su contenido, que incluye flavonoides, alcaloides, taninos, saponinas, terpenoides y cumarinas.

Objetivos: Determinar la capacidad antibacteriana del extracto de raíces de S. jamaicensis (SJRE) sobre algunas bacterias bucales seleccionadas mediante estudios in vitro e in silico.

Métodos: Se realizaron análisis fitoquímico y cromatografía líquida-espectrometría de masas de alta resolución (LC-HRMS) para explorar los compuestos activos en SJRE. Se investigaron in silico la absorción, la distribución, el metabolismo, la excreción y la predicción de la toxicidad, la simulación de acoplamiento molecular y la visualización de la luvangetina y la xantiletina como antiinflamatorios y antibacterianos. Se calcularon la concentración inhibitoria mínima (MIC) y la concentración bactericida mínima (MBC) de SJRE contra Aggregatibacter actinomycetemcomitans, Enterococcus faecalis y Actinomyces spp.

Resultados: Luvangetin y xanthyletin son buenas moléculas candidatos a fármacos y tienen baja toxicidad. La xantiletina tiene una mayor actividad de unión que la luvangetina a TNF-α, IL-6, IL-10, peptidoglicano, flagelina y proteína dectina. SJRE exhibió una alta capacidad antibacteriana y MIC. Este extracto inhibe el crecimiento de A. actinomycetemcomitans, E. faecalis y Actinomyces spp. a varias concentraciones 2000, 8000 y 8000 µg/mL, respectivamente, con diferencias estadísticamente significativas (p = 0,0001; p<0,05).

Conclusiones: SJRE tiene una capacidad antibacteriana y a 2000 µg/mL SJRE puede actuar como un agente antibacteriano in vitro. Además, la xantiletina en SJRE tiene un papel potencial como antibacteriano y antiinflamatorio in silico.

Palabras Clave: enfermedad infecciosa; enfermedad periodontal; enfermedad transmisible; odontología; medicamento.

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Citation Format: Utami JP, Diana S, Arifin R, Taufiqurrahman I, Nugraha KA, Sari MW, Wardana RY (2022) Antibacterial activity of Stachytarpheta jamaicensis (L.) Vahl roots extract on some bacteria proteins: An in silico and in vitro study. J Pharm Pharmacogn Res 10(6): 1087–1102. https://doi.org/10.56499/jppres22.1474_10.6.1087
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