Article ID Journal Published Year Pages File Type
1377175 Bioorganic & Medicinal Chemistry Letters 2007 5 Pages PDF
Abstract

A series of prostacyclin receptor agonists was prepared by modifying the central heteroaromatic ring of lead compound 2, and a docking study was performed to investigate their structure–activity relationships by using a homology-modeled structure of the prostacyclin receptor. Compound 2 and its derivatives could be docked to the prostacyclin receptor in two ways depending on the position of the nitrogen atom within the heteroaromatic ring. Furthermore, hydrogen bonding between the nitrogen atom in the heteroaromatic ring and the hydroxyl group of Ser20 or Tyr75 of the receptor appears to be important for the potent expression of biological activity.

Graphical abstractThe structure–activity relationships associated with prostacyclin receptor agonists were investigated, with emphasis on the pyrazine ring of lead compound 2. Molecular modeling revealed the structural elements of the 6-membered heteroaromatic ring system required for potent biological activity.Figure optionsDownload full-size imageDownload as PowerPoint slide

Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
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