Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches
Hossam Nada, Kyeong Lee, Lizaveta Gotina, Ae Nim Pae, Ahmed Elkamhawy
Topics & Concepts
PharmacophoreDDR1Discoidin domainKinomeVirtual screeningReceptor tyrosine kinaseChemistryDrug discoverySmall moleculeDocking (animal)Computational biologyKinaseBiologyBiochemistryMedicineNursingCell Adhesion Molecules ResearchMonoclonal and Polyclonal Antibodies ResearchHER2/EGFR in Cancer Research