Title : Application of cation-π interactions in enzyme-substrate binding: Design, synthesis, biological evaluation, and molecular dynamics insights of novel hydrophilic substrates for NQO1.

Pub. Date : 2021 Oct 5

PMID : 33984806






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1 These results emphasized that the application of cation-pi interactions by introducing basic aliphatic amine moiety is beneficial for both the water solubility and the NQO1-substrate binding, leading to promising NQO1-targeting antitumor candidates with improved druglike properties. Water NAD(P)H quinone dehydrogenase 1 Homo sapiens