Prediction of synergistic effect between multiple compounds related to diabetes mellitus

5th International Seminar on Sciences

自然科学（总论）

Wijaya, S.H.^1 ; Fadillah, C.^1 ; Kusuma, W.A.^1

Department of Computer Science, IPB University, Bogor

16680, Indonesia^1

关键词: Active compounds;    Diabetes mellitus;    Glipizide;    Medicinal plants;    Multicomponents;    Multiple targets;    Synergistic effect;    Traditional Chinese Medicine;   

Others  :  https://iopscience.iop.org/article/10.1088/1755-1315/299/1/012038/pdf
DOI  :  10.1088/1755-1315/299/1/012038

学科分类：自然科学（综合）

来源: IOP

【 摘 要 】

The medicinal plant contains several active compounds that work synergistically and targets some proteins. In order to obtain an herbal formula that can target two or more proteins from a disease, it is necessary to analyze the effect of compound interactions contained in medicinal plants. In 2015, Li Y et al. introduced a Network Target-based Identification of Multicomponent Synergy (NIMS) method to calculate the synergistic effect between two compounds for rheumatic disease in Traditional Chinese Medicine. However, research on interactions between three or more compounds is also needed to create an effective formula that can work on multiple targets. In this study, we proposed a novel method called One-Against-One NIMS (OAO-NIMS) to predict the synergistic effect of three compounds. Our proposed method was applied to examine compound interactions related to diabetes mellitus disease, and the best combination of three compounds was obtained by Gliquidone, Glipizide, and Mitiglinide with synergy score of 0.425.