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31.
A new and efficient method for the rearrangement of oximes 1 has been achieved by a simple reaction of a ketoximes with bismuth trichloride under microwave irradiation in the solid state. 相似文献
32.
Navkiran Kaur Mansimran Khokhar Vaibhav Jain P. V. Bharatam Rajat Sandhir Rupinder Tewari 《Applied biochemistry and biotechnology》2013,171(2):417-436
Emergence of the multidrug-resistant pathogens has rendered the current therapies ineffective thereby, resulting in the need for new drugs and drug targets. The accumulating protein sequence data has initiated a drift from classical drug discovery protocols to structure-based drug designing. In the present study, in silico subtractive genomics approach was implemented to find a set of potential drug targets present in an opportunist bacterial pathogen, Acinetobacter baumannii (A. baumannii). Out of the 43 targets identified, further studies for protein model building and lead-inhibitor identification were carried out on two cell-essential targets, MurA and MurB enzymes (of A. baumannii designated as MurAAb and MurBAb) involved in the peptidoglycan biosynthesis pathway of bacteria. The homology model built for each of them was further refined and validated using various available programs like PROCHECK, Errat, ProSA energy plots, etc. Compounds showing activity against MurA and MurB enzymes of other organisms were collected from the literature and were docked into the active site of MurAAb and MurBAb enzymes. Three inhibitors namely, T6361, carbidopa, and aesculin, showed maximum Glide score, hydrogen bonding interactions with the key amino acid residues of both the enzymes and acceptable ADME properties. Furthermore, molecular dynamics simulation studies on MurAAb–T6361 and MurBAb–T6361 complexes suggested that the ligand has a high binding affinity with both the enzymes and the hydrogen bonding with the key residues were stable in the dynamic condition also. Therefore, these ligands have been propsed as dual inhibitors and promising lead compounds for the drug design against MurAAb and MurBAb enzymes. 相似文献
33.
3,4-Diaroylfuroxans 1 react with various dipolarophiles 3 under microwave activation to afford the cycloadduct 4 instead of the expected isoxazole 5 in good yields in the absence of solvent. 相似文献
34.
Jatinder Kaur Atul Bhardwaj Frank Wuest 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(10):3326-3337
Live-cell imaging with fluorescent probes is an essential tool in chemical biology to visualize the dynamics of biological processes in real-time. Intracellular disease biomarker imaging remains a formidable challenge due to the intrinsic limitations of conventional fluorescent probes and the complex nature of cells. This work reports the in cellulo assembly of a fluorescent probe to image cyclooxygenase-2 (COX-2). We developed celecoxib-azide derivative 14 , possessing favorable biophysical properties and excellent COX-2 selectivity profile. In cellulo strain-promoted fluorogenic click chemistry of COX-2-engaged compound 14 with non/weakly-fluorescent compounds 11 and 17 formed fluorescent probes 15 and 18 for the detection of COX-2 in living cells. Competitive binding studies, biophysical, and comprehensive computational analyses were used to describe protein-ligand interactions. The reported new chemical toolbox enables precise visualization and tracking of COX-2 in live cells with superior sensitivity in the visible range. 相似文献
35.
Various nitroarenes and 2,1,3-benznooxadiazole-1-oxides were selectively and rapidly reduces to their corresponding amino and diamino compounds respectively in high yields using (NH4SO4-Mg/A1/Bi, a new reduction system. 相似文献
36.
This paper shares results from a secondary analysis of data from the participation of Japanese, Singaporean, and U.S. students in the International Project on Mathematical Attainment (IPMA). IPMA was a longitudinal study to assess the mathematics achievement of primary students from their first year of schooling through the end of fifth grade. Tests were constructed to enable achievement on the same items to be assessed over multiple years, thus permitting the assessment of growth in achievement throughout primary school. Achievement is compared to the grade at which the content is introduced so that achievement can be related to students’ opportunity to learn. 相似文献
37.
38.
To the best of our knowledge, there is no method in literature for solving such fully fuzzy linear programming (FLP) problems in which some or all the parameters are represented by unrestricted L-R flat fuzzy numbers. Also, to propose such a method, there is need to find the product of unrestricted L-R flat fuzzy numbers. However, there is no method in the literature to find the product of unrestricted L-R flat fuzzy numbers.In this paper, firstly the product of unrestricted L-R flat fuzzy numbers is proposed and then with the help of proposed product, a new method (named as Mehar’s method) is proposed for solving fully FLP problems. It is also shown that the fully FLP problems which can be solved by the existing methods can also be solved by the Mehar’s method. However, such fully FLP problems in which some or all the parameters are represented by unrestricted L-R flat fuzzy numbers can be solved by Mehar’s method but can not be solved by any of the existing methods. 相似文献
39.
40.
Structural Chemistry - The hydrogen-bonded complexes formed between proline and amides have been investigated completely by the use of computational methods such as Atoms In Molecules (AIM),... 相似文献