{"id":"https://openalex.org/W7225614581","doi":"https://doi.org/10.3390/plants15213481","title":"Chemical Composition, Antioxidant, and Antiacetylcholinesterase Activities of the Essential Oil of Croton chimboracensis: In Vitro and In Silico Approaches","display_name":"Chemical Composition, Antioxidant, and Antiacetylcholinesterase Activities of the Essential Oil of Croton chimboracensis: In Vitro and In Silico Approaches","publication_year":2026,"publication_date":"2026-11-07","ids":{"openalex":"https://openalex.org/W7225614581","doi":"https://doi.org/10.3390/plants15213481"},"language":"en","primary_location":{"id":"doi:10.3390/plants15213481","doi":"https://doi.org/10.3390/plants15213481","is_oa":true,"landing_page_url":"https://doi.org/10.3390/plants15213481","pdf_url":null,"source":{"id":"https://openalex.org/S4210230202","display_name":"Plants","issn_l":"2223-7747","issn":["2223-7747"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Plants","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.3390/plants15213481","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5021281068","display_name":"Claudia Cruz-Erazo","orcid":"https://orcid.org/0000-0003-2047-6949","observed_orcids":["https://orcid.org/0000-0003-2047-6949"]},"institutions":[{"id":"https://openalex.org/I100205273","display_name":"Universidad T\u00e9cnica Particular de Loja","ror":"https://ror.org/04dvbth24","country_code":"EC","type":"education","lineage":["https://openalex.org/I100205273"]}],"countries":["EC"],"is_corresponding":true,"raw_author_name":"Claudia Cruz","raw_affiliation_strings":["Departamento de Qu\u00edmica y Producci\u00f3n, Universidad T\u00e9cnica Particular de Loja (UTPL), Loja 1101608, Ecuador"],"raw_orcid":"https://orcid.org/0000-0003-2047-6949","affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica y Producci\u00f3n, Universidad T\u00e9cnica Particular de Loja (UTPL), Loja 1101608, Ecuador","institution_ids":["https://openalex.org/I100205273"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5161347883","display_name":"Paulina Villamahua","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I100205273","display_name":"Universidad T\u00e9cnica Particular de Loja","ror":"https://ror.org/04dvbth24","country_code":"EC","type":"education","lineage":["https://openalex.org/I100205273"]}],"countries":["EC"],"is_corresponding":false,"raw_author_name":"Paulina Villamahua","raw_affiliation_strings":["Carrera de Bioqu\u00edmica y Farmacia, Universidad T\u00e9cnica Particular de Loja (UTPL), Loja 1101608, Ecuador"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Carrera de Bioqu\u00edmica y Farmacia, Universidad T\u00e9cnica Particular de Loja (UTPL), Loja 1101608, Ecuador","institution_ids":["https://openalex.org/I100205273"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5161362032","display_name":"Mart\u00edn Urgil\u00e9s-Recalde","orcid":"https://orcid.org/0009-0005-0355-9779","observed_orcids":["https://orcid.org/0009-0005-0355-9779"]},"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":"Mart\u00edn Urgil\u00e9s-Recalde","raw_affiliation_strings":["Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito 170503, Ecuador"],"raw_orcid":"https://orcid.org/0009-0005-0355-9779","affiliations":[{"raw_affiliation_string":"Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito 170503, Ecuador","institution_ids":["https://openalex.org/I4210102282"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074279739","display_name":"Omar Malag\u00f3n","orcid":"https://orcid.org/0000-0001-7946-7858","observed_orcids":["https://orcid.org/0000-0001-7946-7858"]},"institutions":[{"id":"https://openalex.org/I100205273","display_name":"Universidad T\u00e9cnica Particular de Loja","ror":"https://ror.org/04dvbth24","country_code":"EC","type":"education","lineage":["https://openalex.org/I100205273"]}],"countries":["EC"],"is_corresponding":false,"raw_author_name":"Omar Malag\u00f3n","raw_affiliation_strings":["Departamento de Qu\u00edmica y Producci\u00f3n, Universidad T\u00e9cnica Particular de Loja (UTPL), Loja 1101608, Ecuador"],"raw_orcid":"https://orcid.org/0000-0001-7946-7858","affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica y Producci\u00f3n, Universidad T\u00e9cnica Particular de Loja (UTPL), Loja 1101608, Ecuador","institution_ids":["https://openalex.org/I100205273"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057780878","display_name":"Vladimir Morocho","orcid":"https://orcid.org/0000-0001-5156-0700","observed_orcids":["https://orcid.org/0000-0001-5156-0700"]},"institutions":[{"id":"https://openalex.org/I4210117061","display_name":"Universidad Nacional de Loja","ror":"https://ror.org/03a5x6z77","country_code":"EC","type":"education","lineage":["https://openalex.org/I4210117061"]}],"countries":["EC"],"is_corresponding":false,"raw_author_name":"Vladimir Morocho","raw_affiliation_strings":["Carrera de Ingenier\u00eda Agr\u00edcola, Facultad Agropecuaria y de Recursos Naturales Renovables, Universidad Nacional de Loja, Av. P\u00edo Jaramillo Alvarado y Av. Reinaldo Espinosa, Loja 110111, Ecuador"],"raw_orcid":"https://orcid.org/0000-0001-5156-0700","affiliations":[{"raw_affiliation_string":"Carrera de Ingenier\u00eda Agr\u00edcola, Facultad Agropecuaria y de Recursos Naturales Renovables, Universidad Nacional de Loja, Av. P\u00edo Jaramillo Alvarado y Av. Reinaldo Espinosa, Loja 110111, Ecuador","institution_ids":["https://openalex.org/I4210117061"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5040406602","display_name":"Yunierkis P\u00e9rez\u2010Castillo","orcid":"https://orcid.org/0000-0002-3710-0035","observed_orcids":["https://orcid.org/0000-0002-3710-0035"]},"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":"Yunierkis Perez-Castillo","raw_affiliation_strings":["Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito 170503, Ecuador","\u00c1rea de Ciencias Aplicadas, Facultad de Ingenier\u00eda y Ciencias Aplicadas, Universidad de Las Am\u00e9ricas, Quito 170503, Ecuador"],"raw_orcid":"https://orcid.org/0000-0002-3710-0035","affiliations":[{"raw_affiliation_string":"Bio-Cheminformatics Research Group, Universidad de Las Am\u00e9ricas, Quito 170503, Ecuador","institution_ids":["https://openalex.org/I4210102282"]},{"raw_affiliation_string":"\u00c1rea de Ciencias Aplicadas, Facultad de Ingenier\u00eda y Ciencias Aplicadas, Universidad de Las Am\u00e9ricas, Quito 170503, Ecuador","institution_ids":["https://openalex.org/I4210102282"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5021281068"],"corresponding_institution_ids":["https://openalex.org/I100205273"],"apc_list":{"value":2700,"currency":"CHF","value_usd":3258},"apc_paid":{"value":2700,"currency":"CHF","value_usd":3258},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"15","issue":"21","first_page":"3481","last_page":"3481"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10225","display_name":"Essential Oils and Antimicrobial Activity","score":0.9810000061988831,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10225","display_name":"Essential Oils and Antimicrobial Activity","score":0.9810000061988831,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T14521","display_name":"Medicinal Plant Research","score":0.004999999888241291,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11065","display_name":"Insect Pest Control Strategies","score":0.004699999932199717,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/leaf-essential-oil","display_name":"leaf essential oil","score":0.9269999861717224},{"id":"https://openalex.org/keywords/sesquiterpenes","display_name":"sesquiterpenes","score":0.9020000100135803},{"id":"https://openalex.org/keywords/antioxidant-activity","display_name":"antioxidant activity","score":0.7670000195503235},{"id":"https://openalex.org/keywords/acetylcholinesterase-inhibition","display_name":"acetylcholinesterase inhibition","score":0.9900000095367432},{"id":"https://openalex.org/keywords/free-radical-scavenging-activity","display_name":"free radical scavenging","score":0.6880000233650208},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.5590000152587891},{"id":"https://openalex.org/keywords/binding-free-energy","display_name":"binding free energy","score":0.9369999766349792},{"id":"https://openalex.org/keywords/natural-product-drug-discovery","display_name":"natural product drug discovery","score":0.32899999618530273},{"id":"https://openalex.org/keywords/alzheimer-s-disease","display_name":"Alzheimer's disease","score":0.6100000143051147},{"id":"https://openalex.org/keywords/neuroprotection","display_name":"neuroprotection","score":0.4569999873638153},{"id":"https://openalex.org/keywords/chemical-composition","display_name":"chemical composition","score":0.3499999940395355},{"id":"https://openalex.org/keywords/longifolene","display_name":"longifolene","score":0.9300000071525574}],"concepts":[{"id":"https://openalex.org/C2777278459","wikidata":"https://www.wikidata.org/wiki/Q170885","display_name":"Essential oil","level":2,"score":0.7879999876022339},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6403999924659729},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6353999972343445},{"id":"https://openalex.org/C2778261524","wikidata":"https://www.wikidata.org/wiki/Q519802","display_name":"Croton","level":2,"score":0.5623000264167786},{"id":"https://openalex.org/C153784791","wikidata":"https://www.wikidata.org/wiki/Q2212766","display_name":"Chemotype","level":3,"score":0.4106999933719635},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.40880000591278076},{"id":"https://openalex.org/C123460561","wikidata":"https://www.wikidata.org/wiki/Q677065","display_name":"Gas chromatography","level":2,"score":0.40630000829696655},{"id":"https://openalex.org/C205345274","wikidata":"https://www.wikidata.org/wiki/Q873009","display_name":"Gas chromatography\u2013mass spectrometry","level":3,"score":0.3944999873638153},{"id":"https://openalex.org/C2778004101","wikidata":"https://www.wikidata.org/wiki/Q133948","display_name":"Antioxidant","level":2,"score":0.3865000009536743},{"id":"https://openalex.org/C2778942509","wikidata":"https://www.wikidata.org/wiki/Q456053","display_name":"Croton oil","level":3,"score":0.385699987411499},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.37310001254081726},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.361299991607666},{"id":"https://openalex.org/C2779788071","wikidata":"https://www.wikidata.org/wiki/Q421614","display_name":"Caryophyllene","level":3,"score":0.33869999647140503},{"id":"https://openalex.org/C44249647","wikidata":"https://www.wikidata.org/wiki/Q208498","display_name":"Confidence interval","level":2,"score":0.32679998874664307},{"id":"https://openalex.org/C2777207669","wikidata":"https://www.wikidata.org/wiki/Q43648","display_name":"Hydrocarbon","level":2,"score":0.2946999967098236},{"id":"https://openalex.org/C171156812","wikidata":"https://www.wikidata.org/wiki/Q873305","display_name":"Flame ionization detector","level":3,"score":0.29260000586509705},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2849999964237213},{"id":"https://openalex.org/C2777752497","wikidata":"https://www.wikidata.org/wiki/Q286779","display_name":"IC50","level":3,"score":0.2800000011920929},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.26840001344680786},{"id":"https://openalex.org/C2776211264","wikidata":"https://www.wikidata.org/wiki/Q80218","display_name":"Sesquiterpene","level":2,"score":0.25870001316070557},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.2581000030040741},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.2578999996185303},{"id":"https://openalex.org/C33618052","wikidata":"https://www.wikidata.org/wiki/Q6013136","display_name":"In vitro toxicology","level":3,"score":0.2529999911785126}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.3390/plants15213481","doi":"https://doi.org/10.3390/plants15213481","is_oa":true,"landing_page_url":"https://doi.org/10.3390/plants15213481","pdf_url":null,"source":{"id":"https://openalex.org/S4210230202","display_name":"Plants","issn_l":"2223-7747","issn":["2223-7747"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Plants","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.3390/plants15213481","doi":"https://doi.org/10.3390/plants15213481","is_oa":true,"landing_page_url":"https://doi.org/10.3390/plants15213481","pdf_url":null,"source":{"id":"https://openalex.org/S4210230202","display_name":"Plants","issn_l":"2223-7747","issn":["2223-7747"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Plants","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7117109696","https://openalex.org/W4223550267","https://openalex.org/W4399810253","https://openalex.org/W4311719749","https://openalex.org/W2021545186","https://openalex.org/W2058189865","https://openalex.org/W53898747","https://openalex.org/W4412773648","https://openalex.org/W2487045214","https://openalex.org/W3041110381"],"abstract_inverted_index":{"The":[0,58,85,124],"leaf":[1],"essential":[2,86,125,232],"oil":[3,59,87,126,233],"of":[4,52,97,135,176,218,229,241],"Croton":[5],"chimboracensis,":[6],"a":[7,236],"species":[8],"native":[9],"to":[10,214],"Ecuador,":[11],"was":[12,60],"investigated":[13],"using":[14],"an":[15,89,94,132,226],"integrated":[16,227],"chemical,":[17],"biological,":[18],"and":[19,31,78,112,145,165,189,206,234,244],"computational":[20],"approach.":[21],"Volatile":[22],"constituents":[23],"were":[24,35,47,150],"identified":[25,155],"by":[26,37,62],"gas":[27,38],"chromatography\u2013mass":[28],"spectrometry":[29],"(GC\u2013MS),":[30],"their":[32,211],"relative":[33],"proportions":[34],"determined":[36],"chromatography\u2013flame":[39],"ionization":[40],"detection":[41],"(GC\u2013FID)":[42],"peak-area":[43],"normalization.":[44],"Forty-seven":[45],"compounds":[46],"identified,":[48],"accounting":[49],"for":[50,152,202,238],"95.17%":[51],"the":[53,82,101,116,215,219],"total":[54],"GC\u2013FID":[55],"peak":[56],"area.":[57],"dominated":[61],"hydrocarbon":[63],"sesquiterpenes":[64],"(72.75%),":[65],"with":[66,93,131,171],"trans-muurola-4(14),5-diene":[67],"(34.06%),":[68],"longifolene":[69],"(15.34%),":[70],"bicyclogermacrene":[71],"(7.65%),":[72],"caryophyllene":[73],"oxide":[74],"(5.53%),":[75],"\u03b1-humulene":[76],"(4.38%),":[77],"\u03b3-cadinene":[79],"(4.02%)":[80],"as":[81,167],"principal":[83],"constituents.":[84,156,246],"exhibited":[88],"assay-dependent":[90],"radical-scavenging":[91],"response,":[92],"SC50":[95],"value":[96,134],"15.20":[98],"\u00b5g/mL":[99,114,137],"in":[100,115],"2,2\u2032-azinobis(3-ethylbenzothiazoline-6-sulfonic":[102],"acid)":[103],"(ABTS)":[104],"assay":[105,119],"(95%":[106,120,138],"confidence":[107,139],"interval":[108],"CI:":[109,121],"8.97\u201319.83":[110],"\u00b5g/mL)":[111],"2983":[113],"2,2-diphenyl-1-picrylhydrazyl":[117],"(DPPH)":[118],"2719\u20133378":[122],"\u00b5g/mL).":[123,142],"also":[127],"inhibited":[128],"acetylcholinesterase":[129],"(AChE),":[130],"IC50":[133],"43.78":[136],"interval:":[140],"40.68\u201347.05":[141],"Molecular":[143],"docking":[144],"absolute":[146],"binding":[147,173],"free-energy":[148],"calculations":[149,158],"performed":[151],"all":[153],"47":[154],"These":[157,198],"prioritized":[159],"spirolepechinene,":[160],"\u03b2-phellandrene,":[161],"\u03b2-pinene,":[162],"alloaromadendrene":[163],"epoxide,":[164],"(2E,4E)-nona-2,4-dien-1-ol":[166],"potential":[168],"AChE-binding":[169],"constituents,":[170],"predicted":[172],"free":[174],"energies":[175],"\u221220.22":[177],"\u00b1":[178,181,184,187,191,196],"0.93,":[179],"\u221216.59":[180],"0.87,":[182],"\u221216.33":[183],"0.91,":[185],"\u221215.81":[186],"2.53,":[188],"\u221215.29":[190],"1.91":[192],"kcal/mol,":[193],"respectively":[194],"(\u0394G":[195],"SEM).":[197],"findings":[199],"identify":[200],"candidates":[201],"subsequent":[203],"experimental":[204],"validation":[205],"provide":[207],"molecular":[208],"hypotheses":[209],"concerning":[210],"possible":[212],"contributions":[213],"AChE-inhibitory":[216],"activity":[217],"complete":[220],"oil.":[221],"Overall,":[222],"this":[223],"study":[224],"provides":[225],"characterization":[228],"C.":[230],"chimboracensis":[231],"establishes":[235],"basis":[237],"further":[239],"investigation":[240],"its":[242],"antioxidant":[243],"acetylcholinesterase-inhibitory":[245]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-10T00:00:00"}