TY - JOUR
T1 - Molecular Docking of South Sulawesi Propolis against Fructose 1,6-Bisphosphatase as a Type 2 Diabetes Mellitus Drug
AU - Sahlan, Muhamad
AU - Al Faris, Muhammad Nizar Hamzah
AU - Aditama, Reza
AU - Lischer, Kenny
AU - Khayrani, Apriliana Cahya
AU - Pratami, Diah Kartika
N1 - Funding Information:
We acknowledge the financial support from the Ministry of Research, Technology, and Higher Education Republic of Indonesia through the Grants Penelitian Tesis Magister (Nomor:8/E1/KP.PTNBH/2020 and Nomor:255/PKS/R/UI/2020)
Publisher Copyright:
© 2020. All Rights Reserved.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/11/20
Y1 - 2020/11/20
N2 - 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.
AB - 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.
KW - Allosteric inhibition
KW - Diabetes mellitus
KW - Fructose 1,6-Bisphosphatase
KW - Molecular docking
KW - Propolis
UR - http://www.scopus.com/inward/record.url?scp=85097677316&partnerID=8YFLogxK
U2 - 10.14716/ijtech.v11i5.4332
DO - 10.14716/ijtech.v11i5.4332
M3 - Article
AN - SCOPUS:85097677316
SN - 2086-9614
VL - 11
SP - 910
EP - 920
JO - International Journal of Technology
JF - International Journal of Technology
IS - 5
ER -
