Discovering selective agonists of endothelial target for acetylcholine (ETA) via diversity-guided pharmacophore simplification and simulation.
Two types of lead structures for selective agonists of ETA, a biological target not yet fully elucidated, has first been discovered via diversity-guided pharmacophore simplification and simulation. And it is first demonstrated that potent selective ETA agonists might be useful for protection of endothelium and for prophylaxis and treatment of cardiovascular diseases with endothelial dysfunction such as atherosclerosis and thrombosis.
Yang
Rifang
R
Department of Medicinal Chemistry, Beijing Institute of Pharmacology and Toxicology, 27 Taiping Road, Beijing 100850, China. yangrf@yahoo.com
Zhao
Rusheng
R
Chen
Dongmei
D
Shan
Limei
L
Yun
Liuhong
L
Wang
Hai
H
D000109:Acetylcholine / Q000819:agonists* / Q000494:pharmacology; D000818:Animals; D001011:Aorta / Q000187:drug effects / Q000502:physiology; D004730:Endothelium, Vascular / Q000166:cytology / Q000187:drug effects* / Q000502:physiology; D006168:Guinea Pigs; D018721:Muscarinic Agonists / Q000737:chemistry* / Q000494:pharmacology; D011817:Rabbits; D051381:Rats; D014664:Vasodilation / Q000187:drug effects / Q000502:physiology
D018721:Muscarinic Agonists; D000109:Acetylcholine