排序方式: 共有110条查询结果,搜索用时 11 毫秒
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Sarita Singh Jacob P. Grabowski Shilpa Pohani C. Fiore Apuzzo David C. Platt Marjorie A. Jones T. Andrew Mitchell 《Molecules (Basel, Switzerland)》2020,25(22)
Construction of a focused library of polycyclic ether-benzopyrans was undertaken in order to discover new therapeutic compounds that affect Leishmania growth and infectivity. This is especially of interest since there are few drug therapies for leishmaniasis that do not have serious drawbacks such high cost, side effects, and emerging drug resistance. The construction of these polycyclic ether-benzopyrans utilized an acetoxypyranone-alkene [5+2] cycloaddition and the Suzuki-Miyaura cross-coupling. The multi-gram quantity of the requisite aryl bromide was obtained followed by effective Pd-catalyzed coupling with boronic acid derivatives. Compounds were tested in vitro using the parasitic protozoan, Leishmania tarentolae. Effects of concentration, time, and exposure to light were evaluated. In addition, the effects on secreted acid phosphatase activity and nitric oxide production were investigated, since both have been implicated in parasite infectivity. The data presented herein are indicative of disruption of the Leishmania tarentolae and thus provide impetus for the development and testing of a more extensive library. 相似文献
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Vishwanath Ramatenki Ramakrishna Dumpati Rajender Vadija Santhiprada Vellanki Sarita Rajender Potlapally Rohini Rondla Uma Vuruputuri 《Applied biochemistry and biotechnology》2017,182(4):1497-1517
Cancer is characterized by abnormal growth of cells. Targeting ubiquitin proteins in the discovery of new anticancer therapeutics is an attractive strategy. The present study uses the structure-based drug discovery methods to identify new lead structures, which are selective to the putative ubiquitin-conjugating enzyme E2N-like (UBE2NL). The 3D structure of the UBE2NL was evaluated using homology modeling techniques. The model was validated using standard in silico methods. The hydrophobic pocket of UBE2NL that aids in binding with its natural receptor ubiquitin-conjugating enzyme E2 variant (UBE2V) was identified through protein-protein docking study. The binding site region of the UBE2NL was identified using active site prediction tools. The binding site of UBE2NL which is responsible for cancer cell progression is considered for docking study. Virtual screening study with the small molecular structural database was carried out against the active site of UBE2NL. The ligand molecules that have shown affinity towards UBE2NL were considered for ADME prediction studies. The ligand molecules that obey the Lipinski’s rule of five and Jorgensen’s rule of three pharmacokinetic properties like human oral absorption etc. are prioritized. The resultant ligand molecules can be considered for the development of potent UBE2NL enzyme inhibitors for cancer therapy. 相似文献
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Hydrogen generation over carbon-, nitrogen- and sulfur-doped TiO2 semiconductor photocatalysts (represented as C–TiO2, N–TiO2 and S–TiO2, respectively) under visible light irradiation has been achieved using various sacrificial electron donors, namely triethanolamine,
diethanolamine, monoethanolamine, triethylamine, MeOH, EtOH, EDTA, l-ascorbic acid and phenol. The highest initial rate of H2 production was found to be in the range 1,000–2,200 μmol/g/h at ambient conditions when triethanolamine was used as sacrificial
electron donor. The efficacy of hydrogen production over these photocatalysts depends strongly on the nature of the sacrificial
electron donor and decreases in the following order: C–TiO2 > S–TiO2 > N–TiO2. The results of the present studies suggest that the rate of H2 production is not simply governed by the reduction potential of the sacrificial electron donor but also by the kinetic barrier
of the electron transfer process. 相似文献
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Dr. Hui Liu Dr. Davide Audisio Lucie Plougastel Elodie Decuypere David‐Alexandre Buisson Dr. Oleksandr Koniev Dr. Sergii Kolodych Dr. Alain Wagner Dr. Mourad Elhabiri Anna Krzyczmonik Dr. Sarita Forsback Prof. Olof Solin Prof. Véronique Gouverneur Dr. Frédéric Taran 《Angewandte Chemie (International ed. in English)》2016,55(39):12073-12077
We report the synthesis and reactivity of 4‐fluorosydnones, a unique class of mesoionic dipoles displaying exquisite reactivity towards both copper‐catalyzed and strain‐promoted cycloaddition reactions with alkynes. Synthetic access to these new mesoionic compounds was granted by electrophilic fluorination of σ‐sydnone PdII precursors in the presence of Selectfluor. Their reactions with terminal and cyclic alkynes were found to proceed very rapidly and selectively, affording 5‐fluoro‐1,4‐pyrazoles with bimolecular rate constants up to 104 m ?1 s?1, surpassing those documented in the literature with cycloalkynes. Kinetic studies were carried out to unravel the mechanism of the reaction, and the value of 4‐fluorosydnones was further highlighted by successful radiolabeling with [18F]Selectfluor. 相似文献
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A microwave enhanced, facile cycloaddition has been developed for the synthesis of fluorine containing azeto[2,1-d][1,5]benzothiazepine derivatives (Va-m) on the surface of potassium carbonate (K2CO3). Microwave enhanced solvent-free improved synthesis of required 1,5-benzothiazepines is also developed using montmorillonite clay. The synthesized compounds have been screened ‘in vitro’ for antifungal activity against Rhizoctonia solani, Fusarium oxysporum and Collectotrichum capsici. Most of the compounds have shown good activity against these pathogens. 相似文献
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CuCl catalyzes efficient synthesis of aminoindolizine scaffolds by one-pot reactions in PEG of pyridine- or quinoline-2-carboxaldehydes with secondary amines and terminal alkynes via tandem C-H activation, coupling, and cyclization reactions. The reactions are easy to perform, atom-economic, environment friendly, broad in scope, and allow the generation of a number of biologically potent aminoindolizine frameworks from readily accessible starting materials. 相似文献
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Bhargavi Manan Vhora Nazmina Lanka Goverdhan Somadi Gururaj Kanth Sivan Sree Jain Alok Potlapally Sarita Rajender 《Structural chemistry》2021,32(3):1039-1051
Structural Chemistry - MAP2K3 protein is mitogen-activated protein kinase belonging to the family of kinases involved in intracellular cell proliferation. The mammalian MAPK family that consists of... 相似文献
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Chatterjee D Pal U Ghosh S van Eldik R 《Dalton transactions (Cambridge, England : 2003)》2011,40(6):1302-1306
The kinetics of reduction of [Ru(III)(edta)pz]? (edta?? = ethylenediaminetetraacetate; pz = pyrazine) by thioamino acids (RSH = cysteine, glutathione) resulting in the formation of a red [Ru(II)(edta)pz]2? species (λ(max) = 462 nm) has been studied spectrophotometrically using both conventional mixing and stopped-flow techniques. The time course of the reaction was followed as a function of [RSH], pH, temperature and pressure. Alkali metal ions were found to have a positive influence (K(+) > Na(+) > Li(+)) on the reaction rate. Kinetic data and activation parameters are interpreted in terms of a mechanism involving outer-sphere electron transfer between the reaction partners. A detailed reaction mechanism in agreement with the spectral and kinetic data is presented. 相似文献