3155-22-4Relevant academic research and scientific papers
Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from Candida albicans
Han, Xinya,Zhu, Xiuyun,Hong, Zongqin,Wei, Lin,Ren, Yanliang,Wan, Fen,Zhu, Shuaihua,Peng, Hao,Guo, Li,Rao, Li,Feng, Lingling,Wan, Jian
, p. 1426 - 1438 (2017/07/03)
Class II fructose-1,6-bisphosphate aldolases (FBA-II) are attractive new targets for the discovery of drugs to combat invasive fungal infection, because they are absent in animals and higher plants. Although several FBA-II inhibitors have been reported, none of these inhibitors exhibit antifungal effect so far. In this study, several novel inhibitors of FBA-II from C. albicans (Ca-FBA-II) with potent antifungal effects were rationally designed by jointly using a specific protocols of molecular docking-based virtual screening, accurate binding-conformation evaluation strategy, synthesis and enzymatic assays. The enzymatic assays reveal that the compounds 3c, 3e-g, 3j and 3k exhibit high inhibitory activity against Ca-FBA-II (IC50 50 value of 2.7 μM. Importantly, the compounds 3f, 3g, and 3l possess not only high inhibitions against Ca-FBA-II, but also moderate antifungal activities against C. glabrata (MIC80 = 4-64 μg/mL). The compounds 3g, 3l, and 3k in combination with fluconazole (8 μg/mL) displayed significantly synergistic antifungal activities (MIC80 0.0625 μg/mL) against resistant Candida strains, which are resistant to azoles drugs. The probable binding modes between 3g and the active site of Ca-FBA-II have been proposed by using the DOX (docking, ONIOM, and XO) strategy. To our knowledge, no FBA-II inhibitors with antifungal activities against wild type and resistant strains from Candida were reported previously. The positive results suggest that the strategy adopted in this study are a promising method for the discovery of novel drugs against azole-resistant fungal pathogens in the future.
Modification of fulleropyrazolines modulates their cleavage by light
Rutte, Reida N.,Parsons, Thomas B.,Davis, Benjamin G.
supporting information, p. 12297 - 12299 (2015/02/19)
The extraordinary electrochemistry and the tunability of their energy levels allows the use of fulleropyrazolines in photovoltaics and charge-transfer systems. Here we show that substitution in position 1 tunes photolytic stability; electron-donating groups facilitate 1,3-dipolar cycloreversion to fullerene. This discovery has implications not only for photovoltaic stability but also highlights a potential strategy for photo-controlled fullerene release systems ('photo-caged'/'photo-activated' fullerene). This journal is
Chromogenic anion receptors based on 4-nitrophenylhydrazone and phenylhydrazone
Choi, Yusun,Kang, Jongmin
, p. 95 - 102 (2014/06/09)
Chromogenic anion receptors based on 4-nitrophenylhydrazone and phenylhydrazone have been designed and synthesized. UV-Vis and 1H NMR titration showed that receptor 1 responded to anions according to their basicity. Although the nature of hydrogen bonds i
Diaryl hydrazones as multifunctional inhibitors of amyloid self-assembly
T?r?k, Béla,Sood, Abha,Bag, Seema,Tulsan, Rekha,Ghosh, Sanjukta,Borkin, Dmitry,Kennedy, Arleen R.,Melanson, Michelle,Madden, Richard,Zhou, Weihong,Levine, Harry,T?r?k, Marianna
, p. 1137 - 1148 (2013/08/24)
The design and application of an effective, new class of multifunctional small molecule inhibitors of amyloid self-assembly are described. Several compounds based on the diaryl hydrazone scaffold were designed. Forty-four substituted derivatives of this core structure were synthesized using a variety of benzaldehydes and phenylhydrazines and characterized. The inhibitor candidates were evaluated in multiple assays, including the inhibition of amyloid β (Aβ) fibrillogenesis and oligomer formation and the reverse processes, the disassembly of preformed fibrils and oligomers. Because the structure of the hydrazone-based inhibitors mimics the redox features of the antioxidant resveratrol, the radical scavenging effect of the compounds was evaluated by colorimetric assays against 2,2-diphenyl-1-picrylhydrazyl and superoxide radicals. The hydrazone scaffold was active in all of the different assays. The structure-activity relationship revealed that the substituents on the aromatic rings had a considerable effect on the overall activity of the compounds. The inhibitors showed strong activity in fibrillogenesis inhibition and disassembly, and even greater potency in the inhibition of oligomer formation and oligomer disassembly. Supporting the quantitative fluorometric and colorimetric assays, size exclusion chromatographic studies indicated that the best compounds practically eliminated or substantially inhibited the formation of soluble, aggregated Aβ species, as well. Atomic force microscopy was also applied to monitor the morphology of Aβ deposits. The compounds also possessed the predicted antioxidant properties; approximately 30% of the synthesized compounds showed a radical scavenging effect equal to or better than that of resveratrol or ascorbic acid.
Ultrasound assisted syntheses of some 1,2,4-triazole derivatives
Wang, Yingchun,Yi, Xianghui,Qin, Wen
experimental part, p. 217 - 219 (2012/08/07)
A facile preparation of a series of 1,2,4-triazole derivatives under ultrasound irradiation, that proceeded via one-pot reaction of a- nitrophenyl hydrazones with different methylene amines, using sodium nitrite as oxidant and benzyl triethyl ammonium chloride (BTEAC) as phase transfer catalysis, respectively, was described.
Nitration of fullerene derivatives under mild conditions
Oswald, Frederic,De La Cruz, Pilar,Langa, Fernando
, p. 1051 - 1054 (2008/02/13)
A new family of N-(2,4-dinitrophenyl)-2-pyrazolino[60]fullerene derivatives has been synthesized by electrophilic nitration using nitronium triflate. As evidenced by CV and OSWV experiments, these species show enhanced electron-accepting properties (up to
WATER-SOLUBLE TETRAZOLIUM COMPOUNDS
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Page/Page column 7, (2008/06/13)
The purpose of the present invention is to provide a water-soluble tetrazolium compound that will form a water-soluble formazan exhibiting long-wavelength absorption and is stable in aqueous solution for a long period and suitable for the quantitative ana
Synthesis and photoinduced intermolecular electronic acceptor ability of pyrazolo[60]fullerenes vs tetrathiafulvalene
Delgado, Juan Luis,De La Cruz, Pilar,Lopez-Arza, Vicente,Langa, Fernando,Gan, Zhenhai,Araki, Yasuyuki,Ito, Osamu
, p. 1500 - 1507 (2007/10/03)
The synthesis of three novel pyrazolo[60]fullerene derivatives containing electron-withdrawing substituents has been described. High solubility in ordinary organic solvents was proved. Their electrochemical properties of pyrazolo-[60]fullerenes showed bet
