Fresno N, Macías-González M, Torres-Zaguirre A, Romero-Cuevas M, Sanz-Camacho P, Elguero J, Pavón F J, Rodríguez de Fonseca F, Goya P, Pérez-Fernández R
Instituto de Química Médica, Consejo Superior de Investigaciones Científicas (IQM-CSIC) , Juan de la Cierva 3, E-28006 Madrid, Spain.
Centros de Investigación En Red (CIBER) Fisiopatología de la Obesidad y Nutrición, Instituto de Salud Carlos III , CB06/03, E-28029, Madrid, Spain.
J Med Chem. 2015 Aug 27;58(16):6639-52. doi: 10.1021/acs.jmedchem.5b00849. Epub 2015 Aug 12.
A series of new peroxisome proliferator activated receptors (PPARs) chiral ligands have been designed following the accepted three-module structure comprising a polar head, linker, and hydrophobic tail. The majority of the ligands incorporate the oxazolidinone moiety as a novel polar head, and the nature of the hydrophobic tail has also been varied. Docking studies using the crystal structure of an agonist bound to the ligand binding domain of the PPARα receptor have been performed as a tool for their design. Suitable synthetic procedures have been developed, and compounds with different stereochemistries have been prepared. Evaluation of basal and ligand-induced activity proved that several compounds showed agonist activity at the PPARα receptor, thus validating the oxazolidinone template for PPAR activity. In addition, two compounds, 2 and 4, showed dual PPARα/PPARγ agonism and interesting food intake reduction in rats.
根据公认的由极性头部、连接基和疏水尾部组成的三模块结构,设计了一系列新的过氧化物酶体增殖物激活受体(PPARs)手性配体。大多数配体将恶唑烷酮部分作为新型极性头部,疏水尾部的性质也有所不同。利用与PPARα受体配体结合域结合的激动剂的晶体结构进行对接研究,作为其设计工具。已开发出合适的合成方法,并制备了具有不同立体化学的化合物。对基础活性和配体诱导活性的评估证明,几种化合物在PPARα受体上表现出激动剂活性,从而验证了恶唑烷酮模板对PPAR活性的有效性。此外,化合物2和4在大鼠中表现出PPARα/PPARγ双重激动作用,并具有有趣的食物摄入量减少作用。