Boosting the Discovery of Small Molecule Inhibitors of Glucose-6-Phosphate Dehydrogenase for the Treatment of Cancer, Infectious Diseases, and Inflammation.
Boosting the Discovery of Small Molecule Inhibitors of Glucose-6-Phosphate Dehydrogenase for the Treatment of Cancer, Infectious Diseases, and Inflammation.
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促进葡萄糖-6-磷酸脱氢酶小分子抑制剂的发现，用于治疗癌症、传染病和炎症。
DOI：
10.1021/acs.jmedchem.1c01577
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发表时间：
2022-03-24
影响因子：
7.3
通讯作者：
Mochly-Rosen, Daria
中科院分区：
文献类型：
--
作者：
Koperniku, Ana;Garcia, Adriana A.;Mochly-Rosen, Daria
We present an overview of small molecule glucose-6-phosphate dehydrogenase (G6PD) inhibitors that have potential for use in the treatment of cancer, infectious diseases, and inflammation. Both steroidal and non-steroidal inhibitors have been identified, with steroidal inhibitors lacking target selectivity. The main scaffolds encountered in non-steroidal inhibitors are quinazolinones and benzothiazinones/benzothiazepinones. Three molecules show promise for development as anti-parasitic (25 and 29) and anti-inflammatory (32) agents. Regarding modality of inhibition (MOI), steroidal inhibitors have been shown to be uncompetitive and reversible. Non-steroidal small molecules have exhibited all types of MOI. Strategies to boost the discovery of small molecule G6PD inhibitors include exploration of structure-activity relationships (SARs) for established inhibitors, employment of high-throughput screening (HTS), and fragment-based drug discovery (FBDD) for the identification of new hits. We discuss the challenges and gaps associated with drug discovery efforts of G6PD inhibitors from in silico, in vitro and in cellulo to in vivo studies.
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