Design, synthesis, characterization,<i>in vitro</i>screening, molecular docking, 3D-QSAR, and ADME-Tox investigations of novel pyrazole derivatives as antimicrobial agents
Mohammed Chalkha, Mohamed Akhazzane, Fatima Zahrae Moussaid, Ossama Daouı, Asmae Nakkabi, Mohamed Bakhouch, Samir Chtita, Souad Elkhattabi, Abdelilah Iraqi Housseini, Mohamed El Yazidi
Abstract
Novel pyrazoles were synthesized and evaluated for their antimicrobial activity. Molecular docking, 3D-QSAR, drug-likeness property and ADME-Tox studies were performed.
Topics & Concepts
ChemistryADMEQuantitative structure–activity relationshipPyrazoleAntimicrobialCombinatorial chemistryIn vitroStereochemistryDocking (animal)Computational biologyBiochemistryOrganic chemistryNursingMedicineBiologySynthesis and biological activityComputational Drug Discovery MethodsClick Chemistry and Applications