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Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.6-羟甲基-7,8-二氢蝶啶磷酸激酶的双底物抑制剂：高亲和力结合的过渡态类似物。
Bioorg Med Chem. 2021 Jan 1;29:115847. doi: 10.1016/j.bmc.2020.115847. Epub 2020 Nov 9.
3
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The global burden of non-typhoidal salmonella invasive disease: a systematic analysis for the Global Burden of Disease Study 2017.非伤寒型沙门氏菌侵袭性疾病的全球负担：2017 年全球疾病负担研究的系统分析。
Lancet Infect Dis. 2019 Dec;19(12):1312-1324. doi: 10.1016/S1473-3099(19)30418-9. Epub 2019 Sep 24.
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J Chem Theory Comput. 2019 Mar 12;15(3):1863-1874. doi: 10.1021/acs.jctc.8b01026. Epub 2019 Mar 4.
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Identification of Novel Potential Inhibitors of Pteridine Reductase 1 in via Computational Structure-Based Approaches and in Vitro Inhibition Assays.通过计算结构基础方法和体外抑制试验鉴定 中的新型蝶呤还原酶 1 潜在抑制剂。
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虚拟筛选和验证确定了首个被报道的HPPK抑制剂。

Virtual screening and validation identifies the first reported inhibitors of HPPK.

作者信息

Müller Ronel, Gerwel Tiaan M, Kimuda Magambo Phillip, Bishop Özlem Tastan, Veale Clinton G L, Hoppe Heinrich C

机构信息

School of Chemistry and Physics, Pietermaritzburg Campus, University of KwaZulu-Natal Private Bag X01 Scottsville 3209 South Africa

Faculty of Pharmacy, Rhodes University Makhanda 6140 South Africa.

出版信息

RSC Med Chem. 2021 Aug 23;12(10):1750-1756. doi: 10.1039/d1md00237f. eCollection 2021 Oct 20.

DOI:10.1039/d1md00237f
PMID:34778775
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8528203/
Abstract

HPPK, which directly precedes DHPS in the folate biosynthetic pathway, is a promising but chronically under-exploited anti-microbial target. Here we report the identification of new HPPK inhibitors, offering potential for new resistance circumventing therapies as well as avenues for diversifying the current HPPK inhibitor space.

摘要

HPPK在叶酸生物合成途径中直接位于DHPS之前，是一个有前景但长期未得到充分开发的抗菌靶点。在此，我们报告了新型HPPK抑制剂的鉴定结果，这些抑制剂为新的抗耐药性疗法提供了潜力，也为拓展当前HPPK抑制剂的类型提供了途径。