Correlation of SV2C rs1423099 single nucleotide polymorphism with sporadic Parkinson's disease in Han population in Southern China

Tan, Zhi‐Rong; Lin, Yuwan; Zhou, Miaomiao; Guo, Wenyuan; Qiu, Jingjun; Ding, Liuyan; Wu, Zhuohua; Xu, Pingyi; Chen, Xiang

doi:10.1016/j.neulet.2023.137426

Cited by 2 publications

(1 citation statement)

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“…However, the pharmacokinetics in rat brain appears unfavorable for the use of [ 18 F] UCB-F to quantify SV2C in vivo. Dunn et al have reported that SV2C is selectively enriched in the basal ganglia, is disrupted in animal models of PD, and is involved in the modulation of dopamine release. − Therefore, PET tracers for imaging SV2C could be developed as potential biomarkers for Parkinson’s disease.…”

Section: Introductionmentioning

confidence: 99%

Exploring the Interactions between two Ligands, UCB-J and UCB-F, and Synaptic Vesicle Glycoprotein 2 Isoforms

Li,

Zou,

Varrone

et al. 2024

ACS Chem. Neurosci.

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In silico modeling was applied to study the efficiency of two ligands, namely, UCB-J and UCB-F, to bind to isoforms of the synaptic vesicle glycoprotein 2 (SV2) that are involved in the regulation of synaptic function in the nerve terminals, with the ultimate goal to understand the selectivity of the interaction between UCB-J and UCB-F to different isoforms of SV2. Docking and large-scale molecular dynamics simulations were carried out to unravel various binding patterns, types of interactions, and binding free energies, covering hydrogen bonding and nonspecific hydrophobic interactions, water bridge, π−π, and cation−π interactions. The overall preference for bonding types of UCB-J and UCB-F with particular residues in the protein pockets can be disclosed in detail. A unique interaction fingerprint, namely, hydrogen bonding with additional cation−π interaction with the pyridine moiety of UCB-J, could be established as an explanation for its high selectivity over the SV2 isoform A (SV2A). Other molecular details, primarily referring to the presence of π−π interactions and hydrogen bonding, could also be analyzed as sources of selectivity of the UCB-F tracer for the three isoforms. The simulations provide atomic details to support future development of new selective tracers targeting synaptic vesicle glycoproteins and their associated diseases.

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