Elucidation of the catalytic mechanism of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase using QM/MM calculations-Reference-Cited by-同舟云学术

Elucidation of the catalytic mechanism of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase using QM/MM calculations

Published:2018 Issue:34 Volume:16 Page:6239-6249
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Jongkon Nathjanan¹²³⁴⁵,Gleeson Duangkamol⁶⁷⁸⁵,Gleeson M. Paul⁹¹⁰⁸¹¹⁵^ORCID

Affiliation:

1. Department of Social and Applied Science

2. College of Industrial Technology

3. King Mongkut's University of Technology North Bangkok

4. Bangkok 10800

5. Thailand

6. Department of Chemistry

7. Faculty of Science

8. King Mongkut's Institute of Technology Ladkrabang

9. Department of Biomedical Engineering

10. Faculty of Engineering

11. Bangkok 10520

Abstract

This account describes the application of QM/MM calculations to understand the reaction mechanism of HPPK, an important pharmacological target on the folate pathway for the treatment of diseases including anti-microbial resistance, malaria and cancer.

Funder

Thailand Research Fund

King Mongkut's Institute of Technology Ladkrabang

King Mongkut's University of Technology North Bangkok

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/OB/C8OB01428K

Reference83 articles.

1. The folic acid biosynthesis pathway in bacteria: evaluation of potential for antibacterial drug discovery