Large-Scale Biomolecular Chemical Computations toward the Prediction of Burkholderia cepacia Lipase Enantioselectivity

Author:

Yagi Yoichiro12,Tanaka Takahisa23,Imagawa Atsushi23,Moriya Yosuke2,Mori Yoshihiro4,Kimura Takatomo3,Kamezawa Makoto3,Naoshima Yoshinobu12

Affiliation:

1. Research Institute of Natural Sciences, Okayama University of Science

2. Graduate School of Informatics, Okayama University of Science

3. Konan Chemical Industry Co., Ltd.

4. Faculty of Informatics, Okayama University of Science

Publisher

Japan Society for Simulation Technology

Subject

General Engineering

Reference45 articles.

1. [1] Enzyme Catalysis in Organic Synthesis, Vols. I-III, (K. Drauz, H. Waldmann eds.), Wiley-VCH, Weinheim, 2002.

2. [2] Biocatalysis for Fine Chemicals Synthesis, (S. M. Roberts ed.), Wiley, Chichester, 1999.

3. [3] R. J. Kazlauskas, A. N. E. Weissfloch, A. T. Rappaport, L. A. Cuccia: A rule to predict which enantiomer of a secondary alcohol reacts faster in reactions catalyzed by cholesterol esterase, lipase from Pseudomonas cepacia, and lipase from Candida rugosa, J. Org. Chem., 56:8 (1991), 2656-2665.

4. [4] Y. Naoshima, Y. Munakata, S. Yoshida, A. Funai: Synthesis of Chiral Alcohol and Ester Pheromones through Enzyme-Catalysed Hydrolysis using Pseudomonas fluorescens Lipase: Preparation of (2R,6S,10S)-6,10-14-Trimethylpentadecan-2-ol and the Propionate of (2R,8R)-8-methyldecan-2-ol, J. Chem. Soc., Perkin Trans. 1, 1991, 549-553.

5. [5] Y. Naoshima, M. Kamezawa, H. Tachibana, Y. Munakata, T. Fujita, K. Kihara, T. Raku: Enzymatic Preparation df Enantiomerically Pure Alkan-2- and -3-ols by Lipase-Catalysed Hydrolysis with Pseudomonas cepacia in the Presence of Organic Media, J. Chem. Soc., Perkin Trans. 1, 1993, 557-561.

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