Theozyme for antibody aldolases. Characterization of the transition-state analogue

文献情報

出版日 2003-01-27

DOI 10.1039/B209636F

インパクトファクター 3.876

著者

Manuel Arnó, Luis R. Domingo

原文を見る

要旨

A theozyme for antibody aldolases has been studied at the MP2/6-31G** computational level. Formation of two cooperative hydrogen-bonds between the acidic hydrogen atoms of the enamine and of a methanol molecule with the oxygen atom of the aldol acceptor markedly favors the C–C bond-formation associated with the aldol reaction. A comparative analysis of the geometry, the charge distribution and the shape of the molecular electrostatic potential of the transition structure (TS) with the covalent adduct, resulting from the reaction of methylamine and the β-diketone used as a hapten allows us to characterize the transition-state analogue (TSA) generated at immunization. This finding allows us to propose a hapten based on a chiral β-ketosulfoxide that could give the formation of a TSA that addresses the tetrahedral geometry of the TS.

掲載誌

Organic & Biomolecular Chemistry

CiteScore: 3.4

自己引用率: 10.3%

年間論文数: 1041

Organic & Biomolecular Chemistry (OBC) publishes original and high impact research and reviews in organic chemistry. We welcome research that shows new or significantly improved protocols or methodologies in total synthesis, synthetic methodology or physical and theoretical organic chemistry as well as research that shows a significant advance in the organic chemistry or molecular design aspects of chemical biology, catalysis, supramolecular and macromolecular chemistry, theoretical chemistry, mechanism-oriented physical organic chemistry, medicinal chemistry or natural products. Articles published in the journal should report new work which makes a highly-significant impact in the field. Routine and incremental work is generally not suitable for publication in the journal. More details about key areas of our scope are below. In all cases authors should include in their article clear rationale for why their research has been carried out.

Theozyme for antibody aldolases. Characterization of the transition-state analogue

文献情報

おすすめジャーナル

関連文献

Molecular dynamics study of dicarbollide anions in nitrobenzene solution and at its aqueous interface. Synergistic effect in the Eu(iii) assisted extraction

Second-harmonic generation for studying structural motion of biological molecules in real time and space

Slice imaging of the photodissociation of acetaldehyde at 248 nm. Evidence of a roaming mechanism

Investigations on the gas-phase photolysis and OH radical kinetics of methyl-2-nitrophenols

Dependence of the nascent vibrational distribution of NO(v) on the photolysis wavelength of NO2 in the range λ = 266–327 nm measured by time-resolved Fourier transform infrared emission

Front cover

Contents and Chemical Technology

Fully state-selected VMI study of the near-threshold photodissociation of NO2: variation of the angular anisotropy parameter

Front cover

On the photochemistry of IONO2 : absorption cross section (240–370 nm) and photolysis product yields at 248 nm

こちらもおすすめ

1-{3-[5-(エチルカルボンイル)-2,4-ジメチル-1H-ピロロール-3-基]プロパニル}ピペリジン-4-カルボン酸について、適用される法規ガイドラインは何ですか？

2,2-二氟-1,3-ベンゾジオキサン-5-カルボキシlic酸とは何ですか？

8-氯-4-色原酮の代替品はありますか？

エチル6,6-ジメチル-4,5,6,7-テトラヒドロ-1H-インドアゼー-3-カルボキシレートとは何ですか？

4-叔丁基-6-氯-嘧啶に適用される法規ガイドラインは何ですか？

維库溴铵杂质Bはどのように合成されますか？

2-(4-氟苄基)-吡咯烷の物理化学的性質は何ですか？

3-喹啉甲醛（2-チロール-8-エチル）は安全ですか？

エチル3-(ヒドロキシメチル)-1H-ピロール-2-カルボキシレートはどのように保存すればよいですか？

哌拉西林杂质Dは安全ですか？

掲載誌

Organic & Biomolecular Chemistry

おすすめ化合物

Danthron (1,8-Dihydroxyanthraquinone)

Diphenyl hydrogen phosphate

N-Benzyl-N,N-dimethyl-1-tetradecanaminium chloride

Glycol salicylate

Hydratropic acid

おすすめサプライヤー