De Monte Celeste, Carradori Simone, Bizzarri Bruna, Bolasco Adriana, Caprara Federica, Mollica Adriano, Rivanera Daniela, Mari Emanuela, Zicari Alessandra, Akdemir Atilla, Secci Daniela
Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza University of Rome, P.le A. Moro 5, 00185 Rome, Italy.
Department of Pharmacy, "G. D'Annunzio" University of Chieti-Pescara, Via dei Vestini 31, 66100 Chieti, Italy.
Eur J Med Chem. 2016 Jan 1;107:82-96. doi: 10.1016/j.ejmech.2015.10.048. Epub 2015 Nov 2.
On the basis of the recent findings about the biological properties of thiazolidinones and taking into account the encouraging results about the antifungal activity of some (thiazol-2-yl)hydrazines, new N-substituted heterocyclic derivatives were designed combining the thiazolidinone nucleus with the hydrazonic portion. In details, 1,3-thiazolidin-4-ones bearing (cyclo)aliphatic or (hetero)aromatic moieties linked to the N1-hydrazine at C2 were synthesized and classified into three series according to the aromatic or bicyclic rings connected to the lactam nitrogen of the thiazolidinone. These molecules were assayed for their anti-Candida effects in reference to the biological activity of the conventional topic (clotrimazole, miconazole, tioconazole) and systemic drugs (fluconazole, ketoconazole, amphotericin B). Finally, we investigated the selectivity against fungal cells by testing the compounds endowed with the best MICs on Hep2 cells in order to assess their cell toxicity (CC50) and we noticed that two derivatives were less cytotoxic than the reference drug clotrimazole. Moreover, a preliminary molecular modelling approach has been performed against lanosterol 14-α demethylase (CYP51A1) to rationalize the activity of the tested compounds and to specify the target protein or enzyme.
基于最近关于噻唑烷酮生物学特性的研究结果,并考虑到一些(噻唑 - 2 - 基)肼类化合物抗真菌活性的令人鼓舞的结果,设计了新的N - 取代杂环衍生物,将噻唑烷酮核与肼基部分结合。具体而言,合成了在C2处带有与N1 - 肼相连的(环)脂肪族或(杂)芳香族部分的1,3 - 噻唑烷 - 4 - 酮,并根据与噻唑烷酮内酰胺氮相连的芳香环或双环分为三个系列。参照传统局部用药(克霉唑、咪康唑、噻康唑)和全身用药(氟康唑、酮康唑、两性霉素B)的生物活性,对这些分子的抗念珠菌作用进行了测定。最后,通过测试对Hep2细胞具有最佳最低抑菌浓度(MIC)的化合物来研究其对真菌细胞的选择性,以评估它们的细胞毒性(CC50),并且我们注意到两种衍生物的细胞毒性低于参考药物克霉唑。此外,已经针对羊毛甾醇14 - α脱甲基酶(CYP51A1)进行了初步分子建模方法,以合理化测试化合物的活性并确定靶蛋白或酶。