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171.
Substituted amidoximes have been synthesized, isolated and converted into substituted oxadiazoles as a novel heterocyclic compounds under mild conditions in good to excellent yield. 相似文献
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Kongkona Gogoi Anindita Dewan Ankur Gogoi Geetika Borah Utpal Bora 《Heteroatom Chemistry》2014,25(2):127-130
A simple, efficient, and environmentally benign boric acid catalyzed methodology for the ipso‐hydroxylation of arylboronic acid to phenol has been developed using aqueous hydrogen peroxide as an oxidizing agent and ethanol as the solvent. The versatility of this protocol is that the reactions were performed at room temperature in short reaction time under metal‐, ligand‐, and base‐free conditions. 相似文献
173.
Avram S Pacureanu LM Seclaman E Bora A Kurunczi L 《Journal of chemical information and modeling》2011,51(12):3169-3179
Docking studies have become popular approaches in drug design, where the binding energy of the ligand in the active site of the protein is estimated by a scoring function. Many promising techniques were developed to enhance the performance of scoring functions including the fusion of multiple scoring functions outcomes into a so-called consensus scoring function. Hereby, we evaluated the target oriented consensus technique using the energetic terms of several scoring functions. The approach was denoted PLSDA-DOCET. Optimization strategies for consensus energetic terms and scoring functions based on ROC metric were compared to classical rigid docking and to ligand-based similarity search methods comprising 2D fingerprints and ROCS. The ROCS results indicate large performance variations depending on the biological target. The AUC-based strategy of PLSDA-DOCET outperformed the other docking approaches regarding simple retrieval and scaffold-hopping. The superior performance of PLSDA-DOCET protocol relative to single and combined scoring functions was validated on an external test set. We found a relative low mean correlation of the ranks of the chemotypes retrieved by the PLSDA-DOCET protocol and all the other methods employed here. 相似文献
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Firdaus Rahaman Gayen Debashree Bora Dr. Dibyendu Mallick Dr. Abir Sarbajna Dr. Subrata Ghosh Dr. Jayaramudu Jarugala Dr. Biswajit Saha 《欧洲无机化学杂志》2023,26(28):e202300462
Ferrocene functionalized 2-phenylpyridine iridium(III) pentamethylcyclopentadienyl complex is synthesized and probed for oxygen evolution from water. The excellent activity of this system has been rationalized by proposing a Fe(III)/Ir(IV) transient intermediate where bimetallic redox synergism between the Fe and Ir centres possibly provide an alternative pathway rather than a conventional Ir(V) based cycle. 相似文献