Abstract: In the scope of stroke treatment, new neuronal nitric oxide synthase-postsynaptic density protein-95 uncouplers from herbal medicines were discovered and captured. To do so, highly selective magnetic molecularly imprinted polymers with a core-shell structure were prepared as artificial antibodies. According to the results of computational simulations, we designed and synthesized various polymers with varying amounts and types of template, functional monomer, cross-linker and solvent. Characterization and performance tests revealed that the most appropriate artificial antibodies showed uniform spherical morphologies, large adsorption capacities, fast binding kinetics, high selectivity and quick separation. These artificial antibodies were then used as sorbents for dispersive magnetic solid-phase extraction coupled with high-performance liquid chromatography and mass spectrometry to capture and identify structural analogues to ZL006 from extracts of Scutellariae radix, Psoraleae fructus and Trifolium pratense. Furthermore, according to the neuroprotective effect and co-immunoprecipitation test, Baicalein, Neobavaisoflavone, Corylifol A and Biochanin A can be the potential uncouplers of neuronal nitric oxide synthase-postsynaptic density protein-95. Therefore, this present study contributes valuable information for the discovery of neuronal nitric oxide synthase-postsynaptic density protein-95 uncouplers from herbal medicines. This article is protected by copyright. All rights reserved
Author keywords: artificial antibodies, Herbal medicines, Magnetic molecularly imprinted polymers, neuronal nitric oxide synthase, stroke