作者
Tiago Rodrigues, Markus Werner, Jakob Roth, Eduardo H. G. da Cruz, Marta C. Marques, Susana A. Lobo, Andreas Koeberle, Francisco Corzana, Eufrânio N. da Silva Júnior, Oliver Werz, Gonçalo J. L. Bernardes
发表日期
2018
期刊
Chemical Science
简介
Using machine learning, targets were identified for β-lapachone. Resorting to biochemical assays, β-lapachone was validated as a potent, ligand efficient, allosteric and reversible modulator of 5-lipoxygenase (5-LO). Moreover, we provide a rationale for 5-LO modulation and show that inhibition of 5-LO is relevant for the anticancer activity of β-lapachone. This work demonstrates the power of machine intelligence to deconvolute complex phenotypes, as an alternative and/or complement to chemoproteomics and as a viable general approach for systems pharmacology studies.
学术搜索中的文章
T Rodrigues, M Werner, J Roth, EHG da Cruz… - Chemical Science, 2018