Pharmacophore-driven identification of human glutaminyl cyclase inhibitors from foods, plants and herbs unveils the bioactive property and potential of Azaleatin in the treatment of Alzheimer's disease
Keng‐Chang Tsai, Yixuan Zhang, Hsiang-Yun Kao, Kit-Man Fung, Tien‐Sheng Tseng
Abstract
= 4.3 μM) found in foods and plants exhibited strong inhibitory potency against hQC. Furthermore, the binding affinity and molecular interactions were analyzed by surface plasmon resonance (SPR) and molecular modeling/simulations to explore the possible modes of action of Azaleatin and Quercetin. Our study successfully screened and characterized the foundational biochemical and biophysical properties of Azaleatin and Quercetin toward targeting hQC, unveiling their bioactive potential in the treatment of AD.
Topics & Concepts
PharmacophoreNatural productChemistryComputational biologyDrug discoveryPharmacologyBiochemistryBiologyComputational Drug Discovery MethodsAlzheimer's disease research and treatmentsCholinesterase and Neurodegenerative Diseases