A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase

Author:

Meelua Wijitra12,Wanjai Tanchanok2,Thinkumrob Natechanok2,Oláh Julianna3ORCID,Cairns James R. Ketudat4ORCID,Hannongbua Supa5,Ryde Ulf6ORCID,Jitonnom Jitrayut2ORCID

Affiliation:

1. Demonstration School, University of Phayao, Phayao 56000, Thailand

2. Unit of Excellence in Computational Molecular Science and Catalysis, and Division of Chemistry, School of Science, University of Phayao, Phayao 56000, Thailand

3. Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Műegyetem rakpart 3, Budapest H-1111, Hungary

4. Center for Biomolecular Structure, Function and Application and School of Chemistry, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand

5. Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand

6. Department of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, Lund SE-221 00, Sweden

Abstract

DFT calculations reveal mechanistic insights and different preferences in the substrate specificity of the dihydropyrimidinase from yeast and bacteria as well as the role of stereo-gate-loop residues in the stereospecificity of catalysis.

Funder

Thailand Research Fund

KU Leuven

Thailand Science Research and Innovation

Vetenskapsrådet

Nemzeti Kutatási, Fejlesztési és Innovaciós Alap

Budapesti Műszaki és Gazdaságtudományi Egyetem

University of Phayao

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3