AMBER force field parameters for the Zn (II) ions of the tunneling-fold enzymes GTP cyclohydrolase I and 6-pyruvoyl tetrahydropterin synthase:

Khairallah, Afrah; Tastan Bishop, Özlem; Moses, Vuyani

Title: AMBER force field parameters for the Zn (II) ions of the tunneling-fold enzymes GTP cyclohydrolase I and 6-pyruvoyl tetrahydropterin synthase:
Creator: Khairallah, Afrah, Tastan Bishop, Özlem, Moses, Vuyani
Date: 2020
Type: text
Type: article
Identifier: http://hdl.handle.net/10962/163068
Identifier: vital:41009
Identifier: DOI: 10.1080/07391102.2020.1796800
Description: The folate biosynthesis pathway is an essential pathway for cell growth and survival. Folate derivatives serve as a source of the one-carbon units in several intracellular metabolic reactions. Rapidly dividing cells rely heavily on the availability of folate derivatives for their proliferation. As a result, drugs targeting this pathway have shown to be effective against tumor cells and pathogens, but drug resistance against the available antifolate drugs emerged quickly. Therefore, there is a need to develop new treatment strategies and identify alternative metabolic targets. The two de novo folate biosynthesis pathway enzymes, GTP cyclohydrolase I (GCH1) and 6-pyruvoyl tetrahydropterin synthase (PTPS), can provide an alternative strategy to overcome the drug resistance that emerged in the two primary targeted enzymes dihydrofolate reductase and dihydropteroate synthase.
Format: 19 pages, pdf
Language: English
Relation: Journal of Biomolecular Structure and Dynamics, Khairallah, A., Tastan Bishop, Ö. and Moses, V., 2020. AMBER force field parameters for the Zn (II) ions of the tunneling-fold enzymes GTP cyclohydrolase I and 6-pyruvoyl tetrahydropterin synthase. Journal of Biomolecular Structure and Dynamics, pp.1-18, Journal of Biomolecular Structure and Dynamics volume number 1 18 June 2020 1538-0254
Rights: Publisher
Rights: Use of this resource is governed by the terms and conditions of the Taylor and Francis Online Terms and Conditions Statement (https://www.tandfonline.com/terms-and-conditions)

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Tastan Bishop, Ozlem (Prof)

RU Research Unit in Bioinformatics (RUBi)

SDG 03. Good Health and Well-Being

RU Department of Biochemistry, Microbiology and Bioinformatics

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