{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T19:47:02Z","timestamp":1792784822528,"version":"4.5.0"},"reference-count":74,"publisher":"American Chemical Society (ACS)","issue":"19","license":[{"start":{"date-parts":[[2025,5,11]],"date-time":"2025-05-11T00:00:00Z","timestamp":1746921600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100010814","name":"Anhui Provincial Department of Education","doi-asserted-by":"publisher","award":["2022AH020042"],"award-info":[{"award-number":["2022AH020042"]}],"id":[{"id":"10.13039\/501100010814","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100010814","name":"Anhui Provincial Department of Education","doi-asserted-by":"publisher","award":["2024AH040146"],"award-info":[{"award-number":["2024AH040146"]}],"id":[{"id":"10.13039\/501100010814","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Anhui Province","award":["2023sdxx027"],"award-info":[{"award-number":["2023sdxx027"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2025,5,20]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Polygonati Rhizoma, a traditional Chinese medicine, has demonstrated immunomodulatory and anticancer properties, yet its precise mechanisms in stomach adenocarcinoma (STAD) remain underexplored. This study aims to uncover the multitarget mechanisms of Polygonati Rhizoma in regulating the tumor immune microenvironment in STAD using artificial intelligence (AI)-driven network pharmacology, bioinformatics, and single-cell RNA sequencing, offering new insights into its immunotherapeutic potential. This study harnessed the power of AI to unravel the molecular mechanisms underlying Polygonati Rhizoma\u2019s effects. AI-driven methodologies screened 38 putative constituents, retaining 8 based on ADME criteria. Machine Learning algorithms predicted potential targets, which were cross-referenced with 5,569 immune-related genes from GeneCards, revealing 52 immune-associated targets. Differential expression analysis of the STAD data set identified 18 overlapping DEGs with prognostic significance and immune cell infiltration correlations. Key targets (AKT1, TP53, PTGS2 and VEGFA) emerged as central nodes in the network, with AI-assisted molecular docking confirming strong binding affinities, particularly between diosgenin and these core proteins. Molecular dynamics simulations further validated these interactions. Single-cell RNA sequencing revealed distinct target-gene expression patterns across malignant, stromal, and immune cell subsets in digestive-system tumors. In vitro, Polygonati Rhizoma extract significantly inhibited HGC-27 cell viability and increased intracellular ROS levels. These findings underscore the critical role of AI in integrating multiscale analyses, unveiling a multitarget immunomodulatory and antitumor mechanism for Polygonati Rhizoma in STAD, and providing a foundation for future preclinical and clinical studies.<\/jats:p>","DOI":"10.1021\/acsomega.5c00981","type":"journal-article","created":{"date-parts":[[2025,5,11]],"date-time":"2025-05-11T12:58:52Z","timestamp":1746968332000},"page":"19770-19796","source":"Crossref","is-referenced-by-count":9,"title":["AI-Driven Multiscale\nStudy on the Mechanism of Polygonati\nRhizoma in Regulating Immune Function in STAD"],"prefix":"10.1021","volume":"10","author":[{"given":"Peizheng","family":"Yang","sequence":"first","affiliation":[{"name":"Anhui University of Chinese Medicine , , , ,","place":["Hefei, Anhui, China, 230038"]},{"name":"Anhui University of Chinese Medicine , , ,","place":["Hefei, China, 230038"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiangyu","family":"Wang","sequence":"additional","affiliation":[{"name":"Anhui University of Chinese Medicine , , , ,","place":["Hefei, Anhui, China, 230038"]},{"name":"Anhui University of Chinese Medicine , , ,","place":["Hefei, China, 230038"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jianhua","family":"Yang","sequence":"additional","affiliation":[{"name":"Anhui University of Chinese Medicine , , ,","place":["Hefei, China, 230038"]},{"name":"Anhui University of Chinese Medicine , , , ,","place":["Hefei, Anhui, China, 230038"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Biaobiao","family":"Yan","sequence":"additional","affiliation":[{"name":"Anhui University of Chinese Medicine , , , ,","place":["Hefei, Anhui, China, 230038"]},{"name":"Anhui University of Chinese Medicine , , ,","place":["Hefei, China, 230038"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haiyang","family":"Sheng","sequence":"additional","affiliation":[{"name":"Bristol Myers Squibb , , , ,","place":["Lawrenceville, New Jersey, United States, 10154"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8295-530X","authenticated-orcid":true,"given":"Yan","family":"Li","sequence":"additional","affiliation":[{"name":"Dalian University of Technology , , , ,","place":["Dalian, Liaoning, China, 116023"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2557-4807","authenticated-orcid":true,"given":"Yinfeng","family":"Yang","sequence":"additional","affiliation":[{"name":"Anhui University of Chinese Medicine , , ,","place":["Hefei, China, 230038"]},{"name":"Anhui University of Chinese Medicine , , , ,","place":["Hefei, Anhui, China, 230038"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8462-3322","authenticated-orcid":true,"given":"Jinghui","family":"Wang","sequence":"additional","affiliation":[{"name":"Anhui University of Chinese Medicine , , , ,","place":["Hefei, Anhui, China, 230038"]},{"name":"Anhui University of Chinese Medicine , , ,","place":["Hefei, China, 230038"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,5,11]]},"reference":[{"issue":"6","key":"2026081811221748900_cit1","doi-asserted-by":"publisher","first-page":"394","DOI":"10.3322\/caac.21492","article-title":"Global cancer statistics 2018: GLOBOCAN estimates of incidence and\nmortality worldwide for 36 cancers in 185 countries","volume":"68","author":"Bray","year":"2018","journal-title":"CA-Cancer J. 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