Homology modeling, virtual screening, molecular docking, molecular dynamic (MD) simulation, and ADMET approaches for identification of natural anti-Parkinson agents targeting MAO-B protein
Abdellah El Aissouq, Mohammed Bouachrıne, Abdelkrim Ouammou, Fouad Khalil
Topics & Concepts
Virtual screeningAutoDockDocking (animal)Monoamine oxidase BHomology modelingCheminformaticsChemistryRasagilineComputational biologyEnzymeStereochemistryComputational chemistryMonoamine oxidaseBiochemistryIn silicoPharmacophoreBiologyParkinson's diseaseMedicineDiseaseGeneNursingPathologyComputational Drug Discovery MethodsElectrochemical sensors and biosensorsClick Chemistry and Applications