Litcius/Paper detail

Design of BBB permeable BACE-1 inhibitor as potential drug candidate for Alzheimer disease: 2D-QSAR, molecular docking, ADMET, molecular dynamics, MMGBSA

Navneet Kaur, Saurabh Gupta, Jatin Pal, Yogita Bansal, Gulshan Bansal

2025Computational Biology and Chemistry19 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipMolecular dynamicsChemistryDrugDocking (animal)Drug discoveryComputational biologyPharmacologyStereochemistryBiochemistryComputational chemistryBiologyMedicineNursingComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesAlzheimer's disease research and treatments
Design of BBB permeable BACE-1 inhibitor as potential drug candidate for Alzheimer disease: 2D-QSAR, molecular docking, ADMET, molecular dynamics, MMGBSA | Litcius