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- W4200445475 abstract "Endocrine-disrupting chemicals (EDCs) can compete with endogenous hormones and bind to the orthosteric site of nuclear receptors (NRs), affecting normal endocrine system function and causing severe symptoms. Recently, a series of pharmaceuticals and personal care products (PPCPs) have been discovered to bind to the allosteric sites of NRs and induce similar effects. However, it remains unclear how diverse EDCs work in this new way. Therefore, we have systematically summarized the allosteric sites and underlying mechanisms based on existing studies, mainly regarding drugs belonging to the PPCP class. Advanced methods, classified as structural biology, biochemistry and computational simulation, together with their advantages and hurdles for allosteric site recognition and mechanism insight have also been described. Furthermore, we have highlighted two available strategies for virtual screening of numerous EDCs, relying on the structural features of allosteric sites and lead compounds, respectively. We aim to provide reliable theoretical and technical support for a broader view of various allosteric interactions between EDCs and NRs, and to drive high-throughput and accurate screening of potential EDCs with non-competitive effects." @default.
- W4200445475 created "2021-12-31" @default.
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- W4200445475 creator A5054617760 @default.
- W4200445475 creator A5088141052 @default.
- W4200445475 date "2022-01-01" @default.
- W4200445475 modified "2023-09-29" @default.
- W4200445475 title "Allosteric binding on nuclear receptors: Insights on screening of non-competitive endocrine-disrupting chemicals" @default.
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