{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T15:51:12Z","timestamp":1759333872388,"version":"build-2065373602"},"reference-count":58,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2025,9,30]],"date-time":"2025-09-30T00:00:00Z","timestamp":1759190400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100021068","name":"Universidad de Las Am\u00e9ricas Ecuador","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100021068","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Bioinform."],"abstract":"<jats:sec><jats:title>Background<\/jats:title><jats:p>Gastric cancer (GC) remains a major global health burden despite advances in diagnosis and treatment. In recent years, natural products have gained increasing attention as promising sources of anticancer agents, including GC.<\/jats:p><\/jats:sec><jats:sec><jats:title>Methods<\/jats:title><jats:p>In this study, we applied an <jats:italic>in silico<\/jats:italic> ensemble-based modeling strategy to predict compounds with potential inhibitory effects against four GC-related cell lines: AGS, NCI-N87, BGC-823, and SNU-16. Individual predictive models were developed using several algorithms and further integrated into two consensus ensemble multi-objective models. A comprehensive database of over 100,000 natural compounds from 21,665 plant species, was screened for validation and to identify potential molecular candidates.<\/jats:p><\/jats:sec><jats:sec><jats:title>Results<\/jats:title><jats:p>The ensemble models demonstrated a 12\u201315-fold improvement in identifying active molecules compared to random selection. A total of 340 molecules were prioritized, many belonging to bioactive classes such as taxane diterpenoids, flavonoids, isoflavonoids, phloroglucinols, and tryptophan alkaloids. Known anticancer compounds, including paclitaxel, orsaponin (OSW-1), glycybenzofuran, and glyurallin A, were successfully retrieved, reinforcing the validity of the approach. Species from the genera <jats:italic>Taxus<\/jats:italic>, <jats:italic>Glycyrrhiza<\/jats:italic>, <jats:italic>Elaphoglossum<\/jats:italic>, and <jats:italic>Seseli<\/jats:italic> emerged as particularly relevant sources of bioactive candidates.<\/jats:p><\/jats:sec><jats:sec><jats:title>Conclusion<\/jats:title><jats:p>While some genera, such as <jats:italic>Taxus<\/jats:italic> and <jats:italic>Glycyrrhiza<\/jats:italic>, have well-documented anticancer properties, others, including <jats:italic>Elaphoglossum<\/jats:italic> and <jats:italic>Seseli<\/jats:italic>, require further experimental validation. These findings highlight the potential of combining multi-objectives ensemble modeling with natural product databases to discover novel phytochemicals relevant to GC treatment.<\/jats:p><\/jats:sec>","DOI":"10.3389\/fbinf.2025.1642039","type":"journal-article","created":{"date-parts":[[2025,9,30]],"date-time":"2025-09-30T05:37:57Z","timestamp":1759210677000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Discovering molecules and plants with potential activity against gastric cancer: an in silico ensemble-based modeling analysis"],"prefix":"10.3389","volume":"5","author":[{"given":"Micaela","family":"Villacr\u00e9s","sequence":"first","affiliation":[]},{"given":"Alec","family":"Avila","sequence":"additional","affiliation":[]},{"given":"Karina","family":"Jimenes-Vargas","sequence":"additional","affiliation":[]},{"given":"Ant\u00f3nio","family":"Machado","sequence":"additional","affiliation":[]},{"given":"Jos\u00e9 M.","family":"Alvarez-Suarez","sequence":"additional","affiliation":[]},{"given":"Eduardo","family":"Tejera","sequence":"additional","affiliation":[]}],"member":"1965","published-online":{"date-parts":[[2025,9,30]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"855","DOI":"10.1038\/s41416-022-01857-9","article-title":"The mediating role of combined lifestyle factors on the relationship between education and gastric cancer in the Stomach cancer Pooling (StoP) Project","volume":"127","author":"Alicandro","year":"2022","journal-title":"Br. 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