Computational modeling of PET imaging agents for vesicular acetylcholine transporter (VAChT) protein binding affinity: application of 2D-QSAR modeling and molecular docking techniques.

ABSTRACT: The neurotransmitter acetylcholine (ACh) plays a ubiquitous role in cognitive functions including learning and memory with widespread innervation in the cortex, subcortical structures, and the cerebellum. Cholinergic receptors, transporters, or enzymes associated with many neurodegenerative diseases, including Alzheimer's disease (AD) and Parkinson's disease (PD), are potential imaging targets. In the present study, we have developed 2D-quantitative structure-activity relationship (2D-QSAR) models for 19 positron emission tomography (PET) imaging agents targeted against presynaptic vesicular acetylcholine transporter (VAChT). VAChT assists in the transport of ACh into the presynaptic storage vesicles, and it becomes one of the main targets for the diagnosis of various neurodegenerative dis

SUBMITTER: De P 

PROVIDER: S-EPMC10073372 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature