Identification of Bile Acid-Derived Chemical Chaperone(s) Targeting E46K-Mutated Alpha-Synuclein Protein to Treat Parkinson’s Disease: Molecular Modelling, Docking, ADME, and Simulation Studies
Navpreet Kaur, Rimaljot Singh, Agneesh Pratim Das, Subhash Mohan Agarwal, Neelima Dhingra, Tanzeer Kaur
Topics & Concepts
ADMEIn silicoDrug discoveryAlpha-synucleinDocking (animal)Virtual screeningChemistryChemical chaperoneSmall moleculeBiochemistryDrug developmentMolecular mechanicsComputational biologyChemical spaceDrugPharmacologyMolecular dynamicsIn vitroBiologyParkinson's diseaseUnfolded protein responseComputational chemistryDiseaseMedicineGeneNursingEndoplasmic reticulumPathologyComputational Drug Discovery MethodsDrug Transport and Resistance MechanismsProtein Structure and Dynamics