Discovery of novel dual acetylcholinesterase and butyrylcholinesterase inhibitors using machine learning and structure-based drug design
Manish Tripathi, Bhagwati Bhardwaj, Digambar Kumar Waiker, Avanish Tripathi, Sushant K. Shrivastava
Topics & Concepts
AcetylcholinesteraseButyrylcholinesteraseChemistryIn silicoCholinesteraseAchéAcetylcholineIC50Virtual screeningDocking (animal)PharmacologyBiochemistryStereochemistryEnzymeDrug discoveryIn vitroBiologyGeneNursingMedicineComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesMedicinal Plants and Neuroprotection