J Sep Sci. 2026 Oct;49(10):e70562. doi: 10.1002/jssc.70562.
ABSTRACT
The pharmacodynamic material basis and mechanism of action of Bawei Chenxiang Powder (BWCP), a commonly prescribed Tibetan medicinal formulation for cardiovascular diseases, remain largely unclear. To address this issue, we established an angiotensin II type 1 receptor (AT1R) chromatographic method coupled with mass spectrometry for the systematic screening and identification of AT1R-targeting bioactive compounds from BWCP for the first time. Five active components-myristicin, dehydrocostus lactone, naringenin, pinocembrin, and costunolide-were successfully identified as AT1R ligands from BWCP. Frontal analysis was employed to determine the binding constants of these compounds to AT1R, yielding values of (1.09 ± 0.15) × 104 M- 1 for myristicin, (1.59 ± 0.02) × 104 M- 1 for dehydrocostus lactone, (2.24 ± 0.50) × 104 M- 1 for naringenin, (6.09 ± 0.05) × 104 M- 1 for pinocembrin, and (2.59 ± 0.35) × 104 M- 1 for costunolide. Competitive displacement assays revealed that all five compounds share the same binding site with the clinically used AT1R antagonist valsartan, a finding further corroborated by molecular docking, which confirmed the affinity ranking and the overlapping binding pocket with valsartan. Collectively, this study demonstrates that AT1R receptor chromatography, based on specific molecular recognition, enables efficient screening and separation of target ligands from complex natural product matrices, thereby providing a novel and powerful technological platform for bioactive constituent research in ethnomedicines.
PMID:42952332 | DOI:10.1002/jssc.70562