53669-73-1Relevant articles and documents
Viologen-cucurbituril host/guest chemistry - redox control of dimerizationversusinclusion
Asfari, Zouhair,Benyettou, Farah,Dalvand, Parastoo,Elhabiri, Mourad,Nchimi Nono, Katia,Olson, Mark A.,Platas-Iglesias, Carlos,Shetty, Dinesh,Trabolsi, Ali
, p. 29543 - 29554 (2021/10/08)
Two calix[4]arene systems,C234+andC244+- where 2 corresponds to the number of viologen units and 3-4 corresponds to the number of carbon atoms connecting the viologen units to the macrocyclic core - have been synthesized and led to t
Synthesis and biological activity of novel tert-butyl and tert-pentylphenoxyalkyl piperazine derivatives as histamine H3R ligands
Szczepańska, Katarzyna,Karcz, Tadeusz,Mogilski, Szczepan,Siwek, Agata,Kuder, Kamil J.,Latacz, Gniewomir,Kubacka, Monika,Hagenow, Stefanie,Lubelska, Annamaria,Olejarz, Agnieszka,Kotańska, Magdalena,Sadek, Bassem,Stark, Holger,Kie?-Kononowicz, Katarzyna
supporting information, p. 223 - 234 (2018/05/09)
As a continuation of our search for novel histamine H3 receptor ligands, a series of twenty four new tert-butyl and tert-pentyl phenoxyalkylamine derivatives (2?25) was synthesized. Compounds with three to four carbon atoms alkyl chain spacer were evaluated for their binding properties at human histamine H3 receptor (hH3R). The highest affinities were observed for 4-pyridyl derivatives 4, 10, 16 and 22 (Ki = 16.0–120 nM). As it has been shown in docking studies, those specific heteroaromatic 4-N piperazine substituents might interact with one of the key receptor interacting amino acids. Moreover, the most promising compounds exhibited anticonvulsant activity in the maximal electroshock-induced seizure (MES) model in mice. Furthermore, the blood-brain barrier penetration, the functional H3R antagonist potency as well as the pro-cognitive properties in the passive avoidance test were demonstrated for compound 10. In order to estimate drug-likeness of compound 10, in silico and experimental evaluation of metabolic stability in human liver microsomes was performed. In addition, paying attention to the results obtained within this study, the 4-pyridyl-piperazino moiety has been established as a new bioisosteric piperidine replacement in H3R ligands.
Discovery of highly potent novel antifungal azoles by structure-based rational design
Wang, Wenya,Sheng, Chunquan,Che, Xiaoying,Ji, Haitao,Cao, Yongbing,Miao, Zhenyuan,Yao, Jianzhong,Zhang, Wannian
supporting information; experimental part, p. 5965 - 5969 (2010/07/04)
On the basis of the active site of lanosterol 14α-demethylase from Candida albicans (CACYP51), a series of new azoles were designed and synthesized. All the new azoles show excellent in vitro activity against most of the tested pathogenic fungi, which represent a class of promising leads for the development of novel antifungal agents. The MIC80 value of compounds 8c, 8i and 8n against C. albicans is 0.001 μg/mL, indicating that these compounds are more potent than fluconazole, itraconazole and voriconazole. Flexible molecular docking was used to analyze the structure-activity relationships (SARs) of the compounds. The designed compounds interact with CACYP51 through hydrophobic, van der Waals and hydrogen-bonding interactions.
