Molecular screening for potential selective antagonists of TRPA₁ ion channel

Abstract

The article discusses the results of analysis a number of candidate molecules for TRPA1 ion channel selective antagonists using molecular modeling methods of high throughput screening. The study determined their mechanisms of action and specific activity in cells with overexpression of TRPA1 ion channel. It demonstrated antagonistic activity of test substances in relation to TRPA1 ion channel based on the results of molecular screening of biologically active molecules and their comparison with the reference antagonist. The highest activity was demonstrated by the substance with the ZC02-0012 code which was regarded as the main candidate that could be recommended for use in further safety and selectivity studies using in vitro tests and subsequent in vivo experiments aimed at determining its activity and safety in relation to living systems.

Keywords

• ионный канал trpa₁
• боль
• ноцицепция
• воспаление
• высокопроизводительный молекулярный скрининг
• молекулы-кандидаты в селективные антагонисты ионного канала trpa₁
• trpa₁ion channel
• pain
• nociception
• inflammation
• high throughput screening
• candidate molecules for selective antagonists of trpa₁ion channel