Discovery of novel 1,2,3-Triazole hybrids derivatives as vasorelaxant agents: Molecular structure, Hirshfeld surface, in-vivo and in-silico investigation by molecular docking simulation
Yassine Rhazi, Ismail Bouadid, Asmae Nakkabi, Usama Raza, Lohith Tumakuru Nagarajappa, Noémi Deak, Albert Soran, Mohamed El Yazidi, Marwa Alaqarbeh, Abdessamad Tounsi, Mohamed Anouar Harrad, Mohamed Eddouks
Topics & Concepts
ChemistryIn silicoDocking (animal)In vivoMolecular modelMolecular dynamicsCombinatorial chemistryTriazoleStructure–activity relationship1,2,3-TriazoleStereochemistryPharmacologyIn vitroBiochemistryComputational chemistryOrganic chemistryNursingMedicineGeneBiotechnologyBiologyClick Chemistry and ApplicationsSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds