Molecular Docking of South Sulawesi Propolis against Fructose 1,6-Bisphosphatase as a Type 2 Diabetes Mellitus Drug

Muhamad Sahlan, Muhammad Nizar Hamzah Al Faris, Reza Aditama, Kenny Lischer, Apriliana Cahya Khayrani, Diah Kartika Pratami

Research output: Contribution to journalArticlepeer-review

Abstract

Diabetes mellitus is one of the metabolic diseases, characterized by hyperglycemia, which is usually caused by endogenous glucose production through gluconeogenesis. Furthermore, fructose 1,6-bisphosphatase (FBPase), which is the last enzyme involved in gluconeogenesis, is used as inhibition target due to its relatively safe effect. In addition, It is known that propolis has shown antidiabetic activity through some sets of mechanisms due to its varied constituents. Therefore, this study aims to explore the antidiabetic activity of South Sulawesi propolis compounds against the allosteric site of FBPase (PDB ID: 3KC1) through molecular docking on Autodock Vina. The results show that 18 out of 30 propolis compounds outweigh AMP affinity. Furthermore, only two flavonoids showed 100% interaction similarity to the re-docked native ligand and AMP natural inhibition. These two compounds were Broussoflavonol F and Glyasperin A, which had docking score of −9 kcal/mol and −8.2 kcal/mol, respectively. This indicates that both compounds are capable of being used as FBPase inhibitors for the treatment of diabetes mellitus.

Original languageEnglish
Pages (from-to)910-920
Number of pages11
JournalInternational Journal of Technology
Volume11
Issue number5
DOIs
Publication statusPublished - 20 Nov 2020

Keywords

  • Allosteric inhibition
  • Diabetes mellitus
  • Fructose 1,6-Bisphosphatase
  • Molecular docking
  • Propolis

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