Abstract

Periodontal disease has been treated with a variety way such as antibiotics. However, antibiotics have unfavourable side effects, such as increasing bacterial resistance as a result of improper systemic use. Herbal ingredients are known to have enormous potential and pharmacological activities and have anti inflammation effect. Mangosteen (Garcinia mangostana L) contains active components and bioactive substance that have antioxidant, antitumor, and antimicrobial activities. This study examine the α-mangostin substance from Garcinia mangostana L as a candidate for chronic periodontitis therapy in silico. Chemical compounds consisted a-Mangostin substance beside target proteins consisted of receptor activator nuclear kappa beta (RANK) and ligand (RANKL), sclerostin, tartate resistant acid phosphatase (TRAP), alkaline phosphatase (ALP), Osteonectin, and Osteocalcin were obtained from the database, ligand samples were selected through absorption, distribution, metabolism, excretion and toxicology analysis (ADMET) then molecular docking simulations, identification of protein-ligand interactions, and 3-dimention (3D) visualization were performed. α-Mangostin binding into the RANK-RANKL protein domain, it can potentially affect inhibitory activity because it has the most negative binding energy (-7.2 kcal/mol) resulting in higher affinity than other proteins. It can be predicted through molecular docking that α-Mangostin as one of the active compounds in Garcinia mangostana L. are the potential agents for periodontitis therapy in silico.

Original languageEnglish
Pages (from-to)482-486
Number of pages5
JournalJournal of International Dental and Medical Research
Volume16
Issue number2
Publication statusPublished - 2023

Keywords

  • Garcinia Mangostana
  • cytokine
  • periodontitis

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