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新型致病真菌耳念珠菌二氢叶酸还原酶的晶体结构。

Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.

机构信息

Department of Chemistry, University of Warwick, Coventry CV4 7AL, United Kingdom.

Department of Microbiology, Institute of Biomedical Science, University of Sao Paulo, Avenida Professor Lineu Prestes 1374, São Paulo-SP 05508-000, Brazil.

出版信息

Acta Crystallogr D Struct Biol. 2023 Aug 1;79(Pt 8):735-745. doi: 10.1107/S2059798323004709. Epub 2023 Jul 10.

Abstract

Candida auris has emerged as a global health problem with a dramatic spread by nosocomial transmission and a high mortality rate. Antifungal therapy for C. auris infections is currently limited due to widespread resistance to fluconazole and amphotericin B and increasing resistance to the front-line drug echinocandin. Therefore, new treatments are urgently required to combat this pathogen. Dihydrofolate reductase (DHFR) has been validated as a potential drug target for Candida species, although no structure of the C. auris enzyme (CauDHFR) has been reported. Here, crystal structures of CauDHFR are reported as an apoenzyme, as a holoenzyme and in two ternary complexes with pyrimethamine and cycloguanil, which are common antifolates, at near-atomic resolution. Preliminary biochemical and biophysical assays and antifungal susceptibility testing with a variety of classical antifolates were also performed, highlighting the enzyme-inhibition rates and the inhibition of yeast growth. These structural and functional data might provide the basis for a novel drug-discovery campaign against this global threat.

摘要

耳念珠菌已成为一个全球性的健康问题,通过医院内传播迅速扩散,死亡率很高。由于氟康唑和两性霉素 B 的广泛耐药性以及棘白菌素类一线药物耐药性的增加,目前针对耳念珠菌感染的抗真菌治疗受到限制。因此,迫切需要新的治疗方法来对抗这种病原体。二氢叶酸还原酶 (DHFR) 已被验证为念珠菌属的潜在药物靶点,尽管尚未报道耳念珠菌的酶 (CauDHFR) 的结构。在这里,报道了耳念珠菌 DHFR 的晶体结构,分别为apo 酶、全酶以及与嘧啶和环胍嘧啶这两种常见的抗叶酸药物的两个三元复合物,分辨率接近原子水平。还进行了初步的生化和生物物理检测以及各种经典抗叶酸药物的抗真菌药敏试验,突出了酶抑制率和抑制酵母生长的情况。这些结构和功能数据可能为针对这一全球威胁的新型药物发现提供基础。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a76/10394672/d9877a2161fd/d-79-00735-fig1.jpg

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