Abstract
Investigators publish new report on Machine Learning. According to news reporting from Harbin, People’s Republic of China, by NewsRx journalists, research stated, “Diabetes, a metabolic disease characterized by hyperglycemia, seriously endangers the health and the lives of people. alpha-Amylase inhibitors have become effective substances to control blood glucose, and attracted extensive attention. In this study, a database of alpha-amylase inhibitors derived from naturally active small molecules in food was created and a quantitative structure-activity relationship model was developed by combining three machine learning methods (SVM, RF, and LDA) with four descriptors (MOE, ChemoPy, Mordred, and Rdkit).” Financial support for this research came from National Center of Technology Innovation for Dairy. The news correspondents obtained a quote from the research from Northeast Agricultural University, “Hydrogen bond and hydrophobic interaction in the inhibition of alpha-amylase activity was confirmed by molecular docking. Enzyme inhibition experiments showed that the predicted compound had alpha-amylase inhibitory activity. Nevadensin was identified as a promising candidate of alpha-amylase inhibitors. The stability of alpha-amylase binding reaction was verified by molecular dynamics simulation. Optimal process conditions for the extraction of nevadensin from L. pauciflorus maxim were derived from single-factor experiments and response surface modeling.”
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NSTL