{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T13:36:19Z","timestamp":1788960979536,"version":"build-2803163510"},"reference-count":43,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2026,4,17]],"date-time":"2026-04-17T00:00:00Z","timestamp":1776384000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"the Zhejiang Provincial Drug Regulatory Science and Technology Plan Projects","award":["2025002"],"award-info":[{"award-number":["2025002"]}]},{"name":"National Key Laboratory of Regulatory Science for Pharmaceuticals Project","award":["2025SKLDRS0303"],"award-info":[{"award-number":["2025SKLDRS0303"]}]},{"name":"Central Funds Guiding Local Science and Technology Development","award":["2025ZY01093"],"award-info":[{"award-number":["2025ZY01093"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>This study investigated the anti-inflammatory material basis and quality control of Pinellia ternata (P. ternata) to provide a modern scientific interpretation for its therapeutic properties. First, ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UHPLC-Q-TOF-MS\/MS) analysis was used to analyze different polar fractions of P. ternata, resulting in the identification of 79 compounds. Next, an in vitro evaluation using an LPS-induced RAW264.7 cell inflammation model revealed that the ethyl acetate fraction exhibited the most significant inhibition of nitric oxide (NO) production. Three cyclodipeptides, cyclo (Pro-Leu), cyclo (Phe-Pro), and cyclo (Leu-Phe), which displayed notable differences from other fractions, were subsequently screened. Molecular docking studies showed binding free energies below \u22125 kcal\/mol with inducible nitric oxide synthase (iNOS), indicating potential anti-inflammatory targeting properties. Cellular experiments further confirmed that the reduction in NO production induced by these cyclodipeptides ranged from 11.03% to 40.38%. To enable their simultaneous quantification, a method based on ultra-high-performance liquid chromatography\u2013triple quadrupole tandem mass spectrometry (UHPLC-QQQ-MS\/MS) in the multiple reaction monitoring (MRM) mode was established, meeting all analytical validation criteria. Application of this method to P. ternata samples from different origins and growth conditions demonstrated that the contents of these cyclodipeptides were significantly influenced by both the origin and cultivation method. In conclusion, this study preliminarily identifies cyclodipeptides as an important anti-inflammatory material basis of P. ternata, and the established quantitative method provides methodological support and data for constructing its quality evaluation system.<\/jats:p>","DOI":"10.3390\/molecules31081322","type":"journal-article","created":{"date-parts":[[2026,4,17]],"date-time":"2026-04-17T14:24:51Z","timestamp":1776435891000},"page":"1322","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["From Activity Screening to Quality Control: UHPLC-MS\/MS Analysis of Anti-Inflammatory Cyclodipeptides in Pinellia ternata"],"prefix":"10.3390","volume":"31","author":[{"given":"Yue","family":"Wang","sequence":"first","affiliation":[{"name":"School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yunyun","family":"Luo","sequence":"additional","affiliation":[{"name":"NMPA Key Laboratory of Quality Evaluation of Traditional Chinese Medicine (Traditional Chinese Patent Medicine), Zhejiang Institute for Food and Drug Control, Hangzhou 310052, China"},{"name":"Zhejiang Key Laboratory of Biopharmaceutical Contact Materials, Hangzhou 310052, China"},{"name":"Key Laboratory of Quality and Safety of Functional Food, State Administration for Market Regulation, Hangzhou 310052, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jingjing","family":"Gan","sequence":"additional","affiliation":[{"name":"School of Pharmacy, Hangzhou Normal University, Hangzhou 311121, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cuifen","family":"Fang","sequence":"additional","affiliation":[{"name":"NMPA Key Laboratory of Quality Evaluation of Traditional Chinese Medicine (Traditional Chinese Patent Medicine), Zhejiang Institute for Food and Drug Control, Hangzhou 310052, China"},{"name":"Zhejiang Key Laboratory of Biopharmaceutical Contact Materials, Hangzhou 310052, China"},{"name":"Key Laboratory of Quality and Safety of Functional Food, State Administration for Market Regulation, Hangzhou 310052, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Linlin","family":"Zhang","sequence":"additional","affiliation":[{"name":"NMPA Key Laboratory of Quality Evaluation of Traditional Chinese Medicine (Traditional Chinese Patent Medicine), Zhejiang Institute for Food and Drug Control, Hangzhou 310052, China"},{"name":"Zhejiang Key Laboratory of Biopharmaceutical Contact Materials, Hangzhou 310052, China"},{"name":"Key Laboratory of Quality and Safety of Functional Food, State Administration for Market Regulation, Hangzhou 310052, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cheng","family":"Zhen","sequence":"additional","affiliation":[{"name":"NMPA Key Laboratory of Quality Evaluation of Traditional Chinese Medicine (Traditional Chinese Patent Medicine), Zhejiang Institute for Food and Drug Control, Hangzhou 310052, China"},{"name":"Zhejiang Key Laboratory of Biopharmaceutical Contact Materials, Hangzhou 310052, China"},{"name":"Key Laboratory of Quality and Safety of Functional Food, State Administration for Market Regulation, Hangzhou 310052, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bilian","family":"Chen","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, China"},{"name":"NMPA Key Laboratory of Quality Evaluation of Traditional Chinese Medicine (Traditional Chinese Patent Medicine), Zhejiang Institute for Food and Drug Control, Hangzhou 310052, China"},{"name":"Zhejiang Key Laboratory of Biopharmaceutical Contact Materials, Hangzhou 310052, China"},{"name":"Key Laboratory of Quality and Safety of Functional Food, State Administration for Market Regulation, Hangzhou 310052, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,4,17]]},"reference":[{"key":"ref_1","unstructured":"(2018). 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