Exploring novel lead scaffolds for SGLT2 inhibitors: Insights from machine learning and molecular dynamics simulations
Yuandong Yu, Yuting Xia, Guizhao Liang
Topics & Concepts
ChemistryComputational biologyPharmacophoreMolecular dynamicsRenal glucose reabsorptionBinding siteBiochemistryNanotechnologyBiologyDiabetes mellitusMaterials scienceComputational chemistryType 2 diabetesEndocrinologyDiabetes Treatment and ManagementHelicobacter pylori-related gastroenterology studiesDrug Transport and Resistance Mechanisms