{"id":"https://openalex.org/W4414677025","doi":"https://doi.org/10.3389/fbinf.2025.1642039","title":"Discovering molecules and plants with potential activity against gastric cancer: an in silico ensemble-based modeling analysis","display_name":"Discovering molecules and plants with potential activity against gastric cancer: an in silico ensemble-based modeling analysis","publication_year":2025,"publication_date":"2025-09-30","ids":{"openalex":"https://openalex.org/W4414677025","doi":"https://doi.org/10.3389/fbinf.2025.1642039","pmid":"https://pubmed.ncbi.nlm.nih.gov/41099013"},"language":"en","primary_location":{"id":"doi:10.3389/fbinf.2025.1642039","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fbinf.2025.1642039","pdf_url":"https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2025.1642039/pdf","source":{"id":"https://openalex.org/S4210219554","display_name":"Frontiers in Bioinformatics","issn_l":"2673-7647","issn":["2673-7647"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2025.1642039/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5119786624","display_name":"Micaela Villacr\u00e9s","orcid":null},"institutions":[{"id":"https://openalex.org/I4210102282","display_name":"Universidad de Las Am\u00e9ricas","ror":"https://ror.org/0198j4566","country_code":"EC","type":"education","lineage":["https://openalex.org/I4210102282"]},{"id":"https://openalex.org/I69094615","display_name":"Universidad San Francisco de Quito","ror":"https://ror.org/01r2c3v86","country_code":"EC","type":"education","lineage":["https://openalex.org/I69094615"]}],"countries":["EC"],"is_corresponding":false,"raw_author_name":"Micaela Villacr\u00e9s","raw_affiliation_strings":["Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador","Cl\u00ednica San Cayetano, Quito, Ecuador"],"affiliations":[{"raw_affiliation_string":"Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador","institution_ids":["https://openalex.org/I4210102282"]},{"raw_affiliation_string":"Cl\u00ednica San Cayetano, Quito, Ecuador","institution_ids":["https://openalex.org/I69094615"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Alec Avila","orcid":null},"institutions":[{"id":"https://openalex.org/I4210102282","display_name":"Universidad de Las Am\u00e9ricas","ror":"https://ror.org/0198j4566","country_code":"EC","type":"education","lineage":["https://openalex.org/I4210102282"]}],"countries":["EC"],"is_corresponding":false,"raw_author_name":"Alec Avila","raw_affiliation_strings":["Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador"],"affiliations":[{"raw_affiliation_string":"Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador","institution_ids":["https://openalex.org/I4210102282"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008733284","display_name":"Karina Jimenes-Vargas","orcid":"https://orcid.org/0000-0002-1179-3128"},"institutions":[{"id":"https://openalex.org/I11019714","display_name":"Universidade da Coru\u00f1a","ror":"https://ror.org/01qckj285","country_code":"ES","type":"education","lineage":["https://openalex.org/I11019714"]},{"id":"https://openalex.org/I4210102282","display_name":"Universidad de Las Am\u00e9ricas","ror":"https://ror.org/0198j4566","country_code":"EC","type":"education","lineage":["https://openalex.org/I4210102282"]}],"countries":["EC","ES"],"is_corresponding":false,"raw_author_name":"Karina Jimenes-Vargas","raw_affiliation_strings":["Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador","Departament of Computer Science and Information Technologies, Faculty of Computer Science, Universidade da Coru\u00f1a, Campus Elvi\u00f1a s/n, A Coru\u00f1a, Spain"],"affiliations":[{"raw_affiliation_string":"Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador","institution_ids":["https://openalex.org/I4210102282"]},{"raw_affiliation_string":"Departament of Computer Science and Information Technologies, Faculty of Computer Science, Universidade da Coru\u00f1a, Campus Elvi\u00f1a s/n, A Coru\u00f1a, Spain","institution_ids":["https://openalex.org/I11019714"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024750996","display_name":"Ant\u00f3nio Machado","orcid":"https://orcid.org/0000-0002-5089-8723"},"institutions":[{"id":"https://openalex.org/I115891769","display_name":"Universidade dos A\u00e7ores","ror":"https://ror.org/04276xd64","country_code":"PT","type":"education","lineage":["https://openalex.org/I115891769"]},{"id":"https://openalex.org/I69094615","display_name":"Universidad San Francisco de Quito","ror":"https://ror.org/01r2c3v86","country_code":"EC","type":"education","lineage":["https://openalex.org/I69094615"]}],"countries":["EC","PT"],"is_corresponding":false,"raw_author_name":"Ant\u00f3nio Machado","raw_affiliation_strings":["Departamento de Biologia, Centro de Biotecnologia dos A\u00e7ores (CBA), Faculdade de Ci\u00eancias e Tecnologia, Universidade dos A\u00e7ores, Ponta Delgada, Portugal","Laboratorio de Bacteriolog\u00eda, Colegio de Ciencias Biol\u00f3gicas y Ambientales COCIBA, Instituto de Microbiolog\u00eda, Universidad San Francisco de Quito USFQ, Quito, Ecuador"],"affiliations":[{"raw_affiliation_string":"Departamento de Biologia, Centro de Biotecnologia dos A\u00e7ores (CBA), Faculdade de Ci\u00eancias e Tecnologia, Universidade dos A\u00e7ores, Ponta Delgada, Portugal","institution_ids":["https://openalex.org/I115891769"]},{"raw_affiliation_string":"Laboratorio de Bacteriolog\u00eda, Colegio de Ciencias Biol\u00f3gicas y Ambientales COCIBA, Instituto de Microbiolog\u00eda, Universidad San Francisco de Quito USFQ, Quito, Ecuador","institution_ids":["https://openalex.org/I69094615"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046187439","display_name":"Jos\u00e9 M. \u00c1lvarez-Su\u00e1rez","orcid":"https://orcid.org/0000-0001-8509-1498"},"institutions":[{"id":"https://openalex.org/I69094615","display_name":"Universidad San Francisco de Quito","ror":"https://ror.org/01r2c3v86","country_code":"EC","type":"education","lineage":["https://openalex.org/I69094615"]}],"countries":["EC"],"is_corresponding":true,"raw_author_name":"Jos\u00e9 M. Alvarez-Suarez","raw_affiliation_strings":["Laboratorio de Bioexploraci\u00f3n, Colegio de Ciencias Biol\u00f3gicas y Ambientales, Universidad San Francisco de Quito (USFQ), Quito, Ecuador","Laboratorio de Investigaci\u00f3n en Ingenier\u00eda en Alimentos (LabInAli), Departamento de Ingenier\u00eda en Alimentos, Colegio de Ciencias e Ingenier\u00edas, Universidad San Francisco de Quito (USFQ), Quito, Ecuador"],"affiliations":[{"raw_affiliation_string":"Laboratorio de Bioexploraci\u00f3n, Colegio de Ciencias Biol\u00f3gicas y Ambientales, Universidad San Francisco de Quito (USFQ), Quito, Ecuador","institution_ids":["https://openalex.org/I69094615"]},{"raw_affiliation_string":"Laboratorio de Investigaci\u00f3n en Ingenier\u00eda en Alimentos (LabInAli), Departamento de Ingenier\u00eda en Alimentos, Colegio de Ciencias e Ingenier\u00edas, Universidad San Francisco de Quito (USFQ), Quito, Ecuador","institution_ids":["https://openalex.org/I69094615"]}]},{"author_position":"last","author":{"id":null,"display_name":"Eduardo Tejera","orcid":null},"institutions":[{"id":"https://openalex.org/I4210102282","display_name":"Universidad de Las Am\u00e9ricas","ror":"https://ror.org/0198j4566","country_code":"EC","type":"education","lineage":["https://openalex.org/I4210102282"]}],"countries":["EC"],"is_corresponding":true,"raw_author_name":"Eduardo Tejera","raw_affiliation_strings":["Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador","Facultad de Ingenier\u00eda y Ciencias Aplicadas, Universidad de Las Am\u00e9ricas, Quito, Ecuador"],"affiliations":[{"raw_affiliation_string":"Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito, Ecuador","institution_ids":["https://openalex.org/I4210102282"]},{"raw_affiliation_string":"Facultad de Ingenier\u00eda y Ciencias Aplicadas, Universidad de Las Am\u00e9ricas, Quito, Ecuador","institution_ids":["https://openalex.org/I4210102282"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5046187439"],"corresponding_institution_ids":["https://openalex.org/I4210102282","https://openalex.org/I69094615"],"apc_list":{"value":1900,"currency":"USD","value_usd":1900},"apc_paid":{"value":1900,"currency":"USD","value_usd":1900},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.35864463,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"5","issue":null,"first_page":"1642039","last_page":"1642039"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11752","display_name":"Cancer Treatment and Pharmacology","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11752","display_name":"Cancer Treatment and Pharmacology","score":0.9991000294685364,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11385","display_name":"Natural product bioactivities and synthesis","score":0.9980999827384949,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12817","display_name":"Pharmacological Effects of Natural Compounds","score":0.9965000152587891,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.8952999711036682},{"id":"https://openalex.org/keywords/natural-product","display_name":"Natural product","score":0.4584999978542328},{"id":"https://openalex.org/keywords/product","display_name":"Product (mathematics)","score":0.3959999978542328},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.3273000121116638}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.8952999711036682},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5769000053405762},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5465999841690063},{"id":"https://openalex.org/C2779396153","wikidata":"https://www.wikidata.org/wiki/Q901227","display_name":"Natural product","level":2,"score":0.4584999978542328},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3984000086784363},{"id":"https://openalex.org/C90673727","wikidata":"https://www.wikidata.org/wiki/Q901718","display_name":"Product (mathematics)","level":2,"score":0.3959999978542328},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.3273000121116638},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2953000068664551},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.28049999475479126},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.25440001487731934}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.3389/fbinf.2025.1642039","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fbinf.2025.1642039","pdf_url":"https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2025.1642039/pdf","source":{"id":"https://openalex.org/S4210219554","display_name":"Frontiers in Bioinformatics","issn_l":"2673-7647","issn":["2673-7647"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:41099013","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41099013","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in bioinformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:9c0e2d5aefe84328952a1fc38443f2ee","is_oa":true,"landing_page_url":"https://doaj.org/article/9c0e2d5aefe84328952a1fc38443f2ee","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Frontiers in Bioinformatics, Vol 5 (2025)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:11326099","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12518311","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.3389/fbinf.2025.1642039","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fbinf.2025.1642039","pdf_url":"https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2025.1642039/pdf","source":{"id":"https://openalex.org/S4210219554","display_name":"Frontiers in Bioinformatics","issn_l":"2673-7647","issn":["2673-7647"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F2675272233","display_name":"Universidad de Las Am\u00e9ricas Ecuador","ror":null}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4414677025.pdf"},"referenced_works_count":55,"referenced_works":["https://openalex.org/W1968319881","https://openalex.org/W2032303062","https://openalex.org/W2042110087","https://openalex.org/W2104742871","https://openalex.org/W2108068107","https://openalex.org/W2128245586","https://openalex.org/W2247500043","https://openalex.org/W2469258969","https://openalex.org/W2606182883","https://openalex.org/W2741869536","https://openalex.org/W2787363731","https://openalex.org/W2797609018","https://openalex.org/W2930287234","https://openalex.org/W2978825725","https://openalex.org/W2979459719","https://openalex.org/W2999679129","https://openalex.org/W3003305918","https://openalex.org/W3016297435","https://openalex.org/W3038545725","https://openalex.org/W3081334000","https://openalex.org/W3084052359","https://openalex.org/W3110557059","https://openalex.org/W3118695441","https://openalex.org/W3127605588","https://openalex.org/W3128646645","https://openalex.org/W3184262653","https://openalex.org/W3200467905","https://openalex.org/W3203702799","https://openalex.org/W3205724362","https://openalex.org/W3206742358","https://openalex.org/W4205489221","https://openalex.org/W4213338191","https://openalex.org/W4220918927","https://openalex.org/W4229029734","https://openalex.org/W4281658583","https://openalex.org/W4281670278","https://openalex.org/W4289711904","https://openalex.org/W4320525652","https://openalex.org/W4362692401","https://openalex.org/W4378530286","https://openalex.org/W4386910824","https://openalex.org/W4387906829","https://openalex.org/W4388455891","https://openalex.org/W4392043719","https://openalex.org/W4392293978","https://openalex.org/W4392636654","https://openalex.org/W4392756876","https://openalex.org/W4396700263","https://openalex.org/W4399890686","https://openalex.org/W4400495407","https://openalex.org/W4400812073","https://openalex.org/W4402040084","https://openalex.org/W4402990159","https://openalex.org/W4405418153","https://openalex.org/W4405760329"],"related_works":[],"abstract_inverted_index":{"While":[0],"some":[1],"genera,":[2],"such":[3],"as":[4],"<i>Taxus</i>":[5],"and":[6,15],"<i>Glycyrrhiza</i>,":[7],"have":[8],"well-documented":[9],"anticancer":[10],"properties,":[11],"others,":[12],"including":[13],"<i>Elaphoglossum</i>":[14],"<i>Seseli</i>,":[16],"require":[17],"further":[18],"experimental":[19],"validation.":[20],"These":[21],"findings":[22],"highlight":[23],"the":[24],"potential":[25],"of":[26],"combining":[27],"multi-objectives":[28],"ensemble":[29],"modeling":[30],"with":[31],"natural":[32],"product":[33],"databases":[34],"to":[35,40],"discover":[36],"novel":[37],"phytochemicals":[38],"relevant":[39],"GC":[41],"treatment.":[42]},"counts_by_year":[],"updated_date":"2026-04-17T18:11:37.981687","created_date":"2025-10-01T00:00:00"}
