Classification of IGF1R ligand compounds for Identification of herbal extracts using extreme gradient boosting

Abstract

Diabetes Mellitus is a serious disease that requires serious treatment. The cause of this disease is due to malfunctions in insulin and insulin-producing organs. One of the proteins that become insulin signaling receptors is IGF1R, which has an important role in activating and maximizing insulin performance. In this study, we aimed to obtain herbal compounds that can activate the function of the IGF1R protein by utilizing compound data in an open database and modeling it using the ensemble method, namely extreme gradient boosting. We found that this method produces the best classification model than with other algorithms. We predicted 844 data for herbal compounds, but only 15 data met the threshold of 0.6. We got one plant from the fifteen herbal compounds, namely Zostera Marine, which was confirmed to have compounds that bind to IGF1R. These compounds have the highest probability value in the classification model that we formed compared to others.