Potential multifunctional components explored in Chinese herbal medicine against hepatitis B combining multi-target affinity ultrafiltration HPLC/MS

• DOI: 10.1016/j.phyplu.2023.100412
• Publication Date: 2023-01-10T18:45:33Z
• Authors: Huixia Feng; Guilin Chen; Mingquan Guo
• Keywords: Docking (animal); Ultrafiltration (renal); Anti-inflammatory

Dysosma versipellis (D. versipellis) and Phyllanthus urinaria (P. urinaria) are two typical Chinese herbs with diverse chemical composition affluent pharmacological activities. Yet, the specific bioactive components anti-inflammatory anti-viral effects corresponding mechanisms remain unclear. The aim of this study was to screen for constituents activities from anti-HBV formulation. D. versipellis, P. formulation extracts were evaluated by in vitro ACE2 COX-2 inhibitory assays. Affinity ultrafiltration combining liquid chromatography / mass spectrometry (UF-LC/MS) COX-2, ACE2, NTCP conducted according its empirical traditional use, then molecular docking analysis applied validate activity ligands. An efficient strategy employed compounds Corresponding or phytochemicals confirmed inhibitor screening kits simulation. A total 8, 3 8 exerting distinct affinities rapidly screened out characterized formulation, respectively. Thereafter, interaction between binding ligands, namely dehydropodophyllotoxin, β-apopicropodophyllin, quercetin, further simulated analysis, results well correspondent UF results. Noticeably, network among multiple component-target-activity correlations first time constructed an effort elucidate action therapeutic which also better accordance medicine (TCM) theory. present showcased integrative that could offer not only a puissant tool active help unveil underlying mechanisms, but provide alternative platform discovering new candidate drugs anti-inflammation anti-virus other medicinal plants near future.