Machine learning- and structure-based discovery of a novel chemotype as FXR agonists for potential treatment of nonalcoholic fatty liver disease
Qin Tong, Xuefeng Gao, Lei Lei, Jing Feng, Wenxuan Zhang, Yuhua Hu, Zhufang Shen, Zhenming Liu, Yi Huan, Song Wu, Jie Xia, Liangren Zhang
Topics & Concepts
Farnesoid X receptorChemistryHomology modelingNonalcoholic fatty liver diseaseDocking (animal)AgonistSteatosisPharmacologyStereochemistryComputational biologyReceptorBiochemistryNuclear receptorTranscription factorInternal medicineGeneFatty liverDiseaseEnzymeBiologyMedicineNursingComputational Drug Discovery MethodsDrug Transport and Resistance MechanismsLiver Disease Diagnosis and Treatment