Discovery of natural 15-LOX small molecule inhibitors from Chinese herbal medicine using virtual Screening, biological evaluation and molecular dynamics studies
Yatong Li, Yuxin Zhang, Xia Wu, Yanbin Gao, Junfang Guo, Yulang Tian, Ziyue Lin, Xing Wang
Topics & Concepts
Virtual screeningPharmacophoreChemistryMolecular mechanicsEriodictyolMolecular dynamicsEnzymeDocking (animal)In vitroSmall moleculeBiochemistryComputational chemistryLuteolinAntioxidantMedicineQuercetinNursingPharmacological Effects of Natural CompoundsBioactive Compounds and Antitumor AgentsNatural product bioactivities and synthesis