化学
立体化学
部分
选择性
分子模型
对接(动物)
喹唑啉
腺苷受体
化学合成
芳基
配体(生物化学)
受体
体外
兴奋剂
生物化学
有机化学
医学
护理部
催化作用
烷基
作者
Daniela Catarzi,Vittoria Colotta,Flavia Varano,Daniela Poli,Lucia Squarcialupi,Guido Filacchioni,Katia Varani,Fabrizio Vincenzi,Pier Andrea Borea,Diego Dal Ben,Catia Lambertucci,Gloria Cristalli
标识
DOI:10.1016/j.bmc.2012.10.031
摘要
A number of 5-oxo-pyrazolo[1,5-c]quinazolines (series B-1), bearing at position-2 the claimed (hetero)aryl moiety (compounds 1-8) but also a carboxylate group (9-14), were designed as hA(3) AR antagonists. This study produced some interesting compounds endowed with good hA(3) receptor affinity and high selectivity, being totally inactive at all the other AR subtypes. In contrast, the corresponding 5-ammino derivatives (series B-2) do not bind or bind with very low affinity at the hA(3) AR, the only exception being the 5-N-benzoyl compound 19 that shows a hA(3)K(i) value in the high μ-molar range. Evaluation of the synthetic intermediates led to the identification of some 5(3)-(2-aminophenyl)-3(5)-(hetero)arylpyrazoles 20-24 with modest affinity but high selectivity toward the hA(3) AR subtype. Molecular docking of the herein reported tricyclic and simplified derivatives was carried out to depict their hypothetical binding mode to our model of hA(3) receptor.
科研通智能强力驱动
Strongly Powered by AbleSci AI