Journal ArticleDOI
Biocatalytic Aza‐Michael Addition of Aromatic Amines to Enone Using α‐Amylase in Water
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This article is published in Advanced Synthesis & Catalysis.The article was published on 2020-02-21. It has received 24 citations till now. The article focuses on the topics: Enone & Michael reaction.read more
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First biocatalytic Groebke-Blackburn-Bienaymé reaction to synthesize imidazo[1,2-a]pyridine derivatives using lipase enzyme
TL;DR: First biocatalytic synthesis of clinically important imidazo[1,2- a]pyridine based compounds has been achieved and preliminary mechanistic studies suggested that Thr40 and Ser105 residues are playing an important role in catalyzing the GBB-reaction.
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Experimental and computational evidence on gold-catalyzed regioselective hydration of phthalimido-protected propargylamines: an entry to β-amino ketones
TL;DR: The results suggest that the electronic features of the initial adduct between the propargyl triple bond and the Au(i) catalyst, in particular the character of the gold-triple bond interaction, are essential for the observed regioselectivity.
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High-Performance BioNylons from Itaconic and Amino Acids with Pepsin Degradability
Mohammad Asif Ali,Tatsuo Kaneko +1 more
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An Enzyme-Mediated Aza-Michael Addition Is Involved in the Biosynthesis of an Imidazoyl Hybrid Product of Conidiogenone B
Ranuka T. Hewage,Ranuka T. Hewage,Rou-Jie Huang,Shu-Jung Lai,Shu-Jung Lai,Ya-Chu Lien,Shao-Hsing Weng,Dehai Li,Yu-Ju Chen,Shih-Hsiung Wu,Shih-Hsiung Wu,Rong-Jie Chein,Hsiao-Ching Lin +12 more
TL;DR: In this paper, the authors characterized the biosynthesis of (-)-conidiogenone B (1), which involves a diterpene synthase and a P450 monooxygenase.
References
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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
Oleg Trott,Arthur J. Olson +1 more
TL;DR: AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in the lab, while also significantly improving the accuracy of the binding mode predictions, judging by tests on the training set used in AutoDock 4 development.
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Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born
TL;DR: An implementation of generalized Born implicit solvent all-atom classical molecular dynamics within the AMBER program package that runs entirely on CUDA enabled NVIDIA graphics processing units (GPUs) and shows performance that is on par with, and in some cases exceeds, that of traditional supercomputers.
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NBO 6.0: natural bond orbital analysis program.
TL;DR: The NBO 6.0 as mentioned in this paper is a new version of the NBO that provides novel "link-free" interactivity with host electronic structure systems, improved search algorithms and labeling conventions, and new analysis options that significantly extend the range of chemical applications.
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The Thiol-Michael Addition Click Reaction: A Powerful and Widely Used Tool in Materials Chemistry
Devatha P. Nair,Maciej Podgórski,Maciej Podgórski,Shunsuke Chatani,Tao Gong,Weixian Xi,Christopher R. Fenoli,Christopher N. Bowman +7 more
TL;DR: This review examines the reaction mechanisms, the substrates and catalysts used in the reaction, and the subsequent implementation of the thiol-Michael reaction in materials science.
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Michael addition reactions in macromolecular design for emerging technologies
TL;DR: The role of the Michael addition reaction in polymer synthesis with attention to applications in emerging technologies including biomedical, pharmaceutical, optoelectronic, composites, adhesives, and coatings is outlined.