A COMPUTATIONAL INVESTIGATION OF THE DECAY MECHANISM OF THE REACTION PRODUCT OF ANTHRANILATE DIOXYGENASE (ANTHRANILIC ACID DIOL)

被引：0

作者：

Silaghi-Dumitrescu, Radu ^{[1
]}

Ghinga, Radu ^{[2
]}

机构：

[1] Univ Babes Bolyai, Fac Chim & Ingn Chim, RO-400084 Cluj Napoca, Romania

[2] Grp Scolar Transporturi Auto Henri Coanda, RO-310332 Arad, Romania

来源：

STUDIA UNIVERSITATIS BABES-BOLYAI CHEMIA | 2011年 / 56卷 / 04期

关键词：

anthranilate; anthranilate diol; Rieske dioxygenase; catechol; DFT; RIESKE DIOXYGENASES; STRAIN ADP1; 1,2-DIOXYGENASE;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Anthranilate diol is a non-aromatic dihydrodiol produced during the enzymatic degradation of anthranilate by anthranilate dioxygenase. The anthranilate diol is generally accepted to decompose spontaneously to catechol, thus regaining aromaticity. The present study employs density functional (DFT), Hartree-Fock (HF) and AM1 calculations to examine the mechanism of anthranilate diol decomposition.

引用

页码：49 / 54

页数：6

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