A New Pathway for the Preparation of Pyrano[2,3-<i>c</i>]pyrazoles and molecular Docking as Inhibitors of p38 MAP Kinase
Hai Truong Nguyen, Minh-Nhat Ha Truong, Tan Van Le, Nam Vo, Hoang Duc Nguyen, Phuong Hoang Tran
Abstract
]pyrazoles and bioinformatic evidence for their biological capability to block p38 MAP kinase pockets, which could be useful for developing cancer or immune drugs.
Topics & Concepts
Docking (animal)ChemistryMalononitrileBinding sitePyrazoleStereochemistryActive siteKinasePyranIn silicoCombinatorial chemistryAllosteric regulationEnzymeBiochemistryCatalysisGeneNursingMedicineSynthesis and biological activityMulticomponent Synthesis of HeterocyclesComputational Drug Discovery Methods