{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,25]],"date-time":"2026-02-25T11:12:33Z","timestamp":1772017953850,"version":"3.50.1"},"reference-count":51,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["CIMB"],"abstract":"<jats:p>Flaveria trinervia (Spreng) C. Mohr is a plant traditionally used in Mexican medicine. In this study, gas chromatography\u2013mass spectrometry (GC\u2013MS) combined with network pharmacology was employed to characterize volatile and semi-volatile metabolites from F. trinervia leaves and to explore their potential system-level mechanisms of action in inflammatory and tumor-related disorders. A dual extraction strategy (hexane\/dichloromethane and acetone\/chloroform) was applied, followed by GC\u2013MS-based compound identification. Putative molecular targets were predicted using established pharmacological databases, and protein\u2013protein interaction networks were constructed to identify topological features and enriched biological pathways. A total of 11 bioactive compounds were tentatively identified with an identity level of \u226580%, with seven shared between both extracts, including phytol, germacrene D, caryophyllene oxide, pinene isomers, squalene, and 2,2\u2032:5\u2032,2\u2033-terthiophene, metabolites previously reported to exhibit antioxidant, anti-inflammatory, and cytotoxic activities. Network topology analysis identified ESR1, RXRA\/B\/G, NCOA2, and CYP19A1 as central nodes, reflecting convergence on signaling axes involved in apoptosis, cell proliferation, immune modulation, and transcriptional regulation pathways. Functional enrichment analysis revealed significant associations with KEGG pathways related to immune modulation, neuroendocrine regulation, and cancer-associated pathways. Collectively, these findings suggest a multitarget biological and multipathway pharmacological profile for F. trinervia, consistent with previously reported biological activities. The concordance between in silico predictions and existing experimental evidence strengthens the pharmacological relevance of the identified metabolites and supports their prioritization for further experimental validation, including mechanistic and pharmacokinetic studies, in metabolic, immune, neurological, and cancer-related contexts.<\/jats:p>","DOI":"10.3390\/cimb48020160","type":"journal-article","created":{"date-parts":[[2026,2,2]],"date-time":"2026-02-02T09:48:08Z","timestamp":1770025688000},"page":"160","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["From Gas Chromatography\u2013Mass Spectrometry (GC\u2013MS) to Network Pharmacology: System-Level Insights into the Multi-Target Biological Potential of Flaveria trinervia (Spreng.) C. Mohr"],"prefix":"10.3390","volume":"48","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-9830-0506","authenticated-orcid":false,"given":"Christopher","family":"Torres Flores","sequence":"first","affiliation":[{"name":"Centro de Investigaci\u00f3n Facultad de Medicina UNAM-UABJO, Facultad de Medicina y Cirug\u00eda, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68020, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6720-7952","authenticated-orcid":false,"given":"Eduardo","family":"P\u00e9rez-Campos","sequence":"additional","affiliation":[{"name":"Divisi\u00f3n de Estudios de Posgrado e Investigaci\u00f3n, Tecnol\u00f3gico Nacional de M\u00e9xico\/Instituto Tecnol\u00f3gico de Oaxaca, Oaxaca 68030, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4140-4661","authenticated-orcid":false,"given":"Laura","family":"P\u00e9rez-Campos Mayoral","sequence":"additional","affiliation":[{"name":"Centro de Investigaci\u00f3n Facultad de Medicina UNAM-UABJO, Facultad de Medicina y Cirug\u00eda, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68020, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1710-0679","authenticated-orcid":false,"given":"Luis \u00c1ngel","family":"Laguna-Barrios","sequence":"additional","affiliation":[{"name":"Centro de Investigaci\u00f3n Facultad de Medicina UNAM-UABJO, Facultad de Medicina y Cirug\u00eda, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68020, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Karen Beatriz","family":"M\u00e9ndez-Rodr\u00edguez","sequence":"additional","affiliation":[{"name":"Coordinaci\u00f3n de Innovaci\u00f3n y Aplicaci\u00f3n de la Ciencia y la Tecnolog\u00eda, Universidad Aut\u00f3noma de San Luis Potos\u00ed, San Luis Potos\u00ed 78210, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Francisco Javier","family":"P\u00e9rez-V\u00e1zquez","sequence":"additional","affiliation":[{"name":"Coordinaci\u00f3n de Innovaci\u00f3n y Aplicaci\u00f3n de la Ciencia y la Tecnolog\u00eda, Universidad Aut\u00f3noma de San Luis Potos\u00ed, San Luis Potos\u00ed 78210, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eduardo","family":"P\u00e9rez Campos-Mayoral","sequence":"additional","affiliation":[{"name":"Centro de Investigaci\u00f3n Facultad de Medicina UNAM-UABJO, Facultad de Medicina y Cirug\u00eda, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68020, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2737-7644","authenticated-orcid":false,"given":"Carlos Mauricio","family":"Lastre-Dom\u00ednguez","sequence":"additional","affiliation":[{"name":"Divisi\u00f3n de Estudios de Posgrado e Investigaci\u00f3n, Tecnol\u00f3gico Nacional de M\u00e9xico\/Instituto Tecnol\u00f3gico de Oaxaca, Oaxaca 68030, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Efr\u00e9n Emmanuel","family":"Jarqu\u00edn Gonz\u00e1lez","sequence":"additional","affiliation":[{"name":"Direcci\u00f3n General de los Servicios de Salud de Oaxaca, Secretaria de Salud, Servicios de Salud de Oaxaca, Oaxaca 68000, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0379-4630","authenticated-orcid":false,"given":"Margarito","family":"Mart\u00ednez Cruz","sequence":"additional","affiliation":[{"name":"Divisi\u00f3n de Estudios de Posgrado e Investigaci\u00f3n, Tecnol\u00f3gico Nacional de M\u00e9xico\/Instituto Tecnol\u00f3gico de Oaxaca, Oaxaca 68030, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mar\u00eda del Socorro","family":"Pina Canseco","sequence":"additional","affiliation":[{"name":"Centro de Investigaci\u00f3n Facultad de Medicina UNAM-UABJO, Facultad de Medicina y Cirug\u00eda, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68020, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zoila","family":"Mora Guzm\u00e1n","sequence":"additional","affiliation":[{"name":"Centro de Investigaci\u00f3n Facultad de Medicina UNAM-UABJO, Facultad de Medicina y Cirug\u00eda, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68020, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-0772-5944","authenticated-orcid":false,"given":"Karol Celeste","family":"L\u00f3pez Montesinos","sequence":"additional","affiliation":[{"name":"Direcci\u00f3n de la Divisi\u00f3n de Investigaci\u00f3n y Desarrollo Cient\u00edfico, Benem\u00e9rita Universidad de Oaxaca, Oaxaca 68000, 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