Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer’s disease
Jatin Jangra, Nilesh Gajanan Bajad, Ravi Singh, Ashok Kumar, Sushil Kumar Singh
Topics & Concepts
PharmacophoreVirtual screeningADMEChemistryCysteine proteaseCathepsin BDocking (animal)CathepsinTarget proteinComputational biologyBiochemistryProteasesAmyloid precursor proteinDrug discoveryEnzymeAlzheimer's diseaseBiologyDiseaseIn vitroMedicineGenePathologyNursingComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesAlzheimer's disease research and treatments