Crystal structure, Hirshfeld surface and DFT computations, along with molecular docking investigations of a new pyrazole as a tyrosine kinase inhibitor
Mohammed Chalkha, Anouar Ameziane El Hassani, Asmae Nakkabi, Burak Tüzün, Mohamed Bakhouch, Adil Touimi Benjelloun, M. Sfaira, Mohamed Saadi, Lahcen El Ammari, Mohamed El Yazidi
Topics & Concepts
ChemistryPyrazoleDocking (animal)ComputationCrystal (programming language)StereochemistryComputational chemistryCrystallographyAlgorithmProgramming languageComputer scienceNursingMedicineSynthesis and biological activityComputational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds