title: Design, synthesis, and biological evaluation of prenylated chalcones as vasorelaxant agents.
abstract: Five prenylated chalcones and one allylated chalcone were prepared according to the analysis based on support vector machine (SVM) classification model. Most of the synthesized chalcones showed potent vasorelaxant activities through evaluation in aortic rings with the endothelium pre-contracted by phenylephrine (PE), indicating that the experimental activities were in good agreement with the theoretical ones. Structure-activity relationship of these compounds showed that the substituent pattern and number of hydroxyl groups were crucial for their vasorelaxant activities and that the replacement of prenyl group with allyl group retained the potent activity.
authors: ZJU-ENS Joint Laboratory of Medicinal Chemistry, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China.
authors: Xiaowu
authors: X
authors: Dong
authors: Jing
authors: J
authors: Chen
authors: Chaoyi
authors: C
authors: Jiang
authors: Tao
authors: T
authors: Liu
authors: Yongzhou
authors: Y
authors: Hu
mesh_terms: D000818:Animals; D001011:Aorta / Q000187:drug effects; D001185:Artificial Intelligence; D047188:Chalcones / Q000138:chemical synthesis* / Q000737:chemistry / Q000145:classification / Q000494:pharmacology*; D017076:Computer-Aided Design; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D066298:In Vitro Techniques; D008297:Male; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D051381:Rats; D017207:Rats, Sprague-Dawley; D014664:Vasodilation / Q000187:drug effects*; D014665:Vasodilator Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000145:classification / Q000494:pharmacology*
chemical_list: D047188:Chalcones; D014665:Vasodilator Agents