Integrating at-line nanofractionation platform with GNPS for unveiling neuraminidase inhibitors from ethanolic extract of Smilax china L. (PubMed, J Chromatogr B Analyt Technol Biomed Life Sci) - Oct 8, 2026 - "In this study, an efficient strategy integrating an at-line nanofractionation (ANF) platform with Global Natural Products Social Molecular Networking (GNPS) was employed for the rapid discovery of neuraminidase inhibitors (NAIs) from the Traditional Chinese medicine (TCM) Smilax china L. High-throughput screening of a self-constructed TCM extract library revealed that the ethanolic extract of Smilax china L. exhibited over 90% inhibitory activity against oseltamivir-sensitive neuraminidase (NAS), with an IC50 value of 88.78 ± 13.26 μg/mL...Among these, the 21 bioactive constituents included chlorogenic acid, astilbin, procyanidin B, and smilaside A. Molecular docking and molecular dynamics simulations were used to explore potential binding interactions and possible structural determinants of candidate binding...The integrated ANF-GNPS platform established in this study provides an efficient and reliable technical approach for the..."
Journal • Fatigue • Infectious Disease • Influenza • Respiratory Diseases
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Bin Yang; Fernando Cassas; Jialiang Guo; Jincai Wang; Li Xu; Mengzhi Pang; Rong Ma; Shanfan Weng; Shixiang Xu; Tao Deng; Zhixu Chen
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