Molecular docking/dynamics simulations, MEP analysis, bioisosteric replacement and ADME/T prediction for identification of dual targets inhibitors of Parkinson’s disease with novel scaffold
Merzaka Mettai, Ismail Daoud, Fouzia Mesli, Samir Kenouche, Nadjib Melkemi, Rania Kherachi, Ahlem Belkadi
Topics & Concepts
ADMEDocking (animal)Computational biologyParkinson's diseaseIdentification (biology)Computer scienceDiseasePharmacologyMedicineDrugBiologyInternal medicineNursingBotanyComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesClick Chemistry and Applications