Melanie Ochoa-Ocampo, Nina Espinosa de Los Monteros-Silva, Jefferson V Pastuña-Fasso, Juan Diego Sacoto, María Cristina Peñuela-Mora, Gerardo Casanola-Martin, José R Almeida, Karel Diéguez-Santana, Noroska G S Mogollón
{"title":"白莲子乙醇提取物挥发性组分特征、抗氧化特性及分子对接。","authors":"Melanie Ochoa-Ocampo, Nina Espinosa de Los Monteros-Silva, Jefferson V Pastuña-Fasso, Juan Diego Sacoto, María Cristina Peñuela-Mora, Gerardo Casanola-Martin, José R Almeida, Karel Diéguez-Santana, Noroska G S Mogollón","doi":"10.3390/molecules30061366","DOIUrl":null,"url":null,"abstract":"<p><p>Antioxidants are essential compounds with diverse applications, and medicinal plants are a natural source of these biomolecules. <i>Philodendron heleniae</i>, a species native to the Ecuadorian Amazon, belongs to a genus renowned for its traditional therapeutic uses. Extracts from the stems and roots of several <i>Philodendron</i> species have been widely used to treat stress, bladder disorders, and snakebite wounds, underscoring their medicinal potential. This study investigates the volatile composition, antioxidant properties, and molecular docking of ethanolic extracts from <i>P. heleniae</i>, aiming to expand its applications. Phytochemical analysis revealed a rich profile of tannins, phenolic compounds, flavonoids, and terpenoids. Antioxidant assays (ABTS and DPPH) demonstrated the extract's strong free radical scavenging capacity, comparable to the standard Trolox. GC-MS analysis identified 48 volatile and semi-volatile metabolites, predominantly phenolic compounds, terpenoids, and lipid-like molecules. Fractionation of the crude ethanolic extract into aqueous and ethanolic fractions simplifies the downstream analytical steps and facilitates the identification and the evaluation of the higher abundance of antioxidant-related metabolites. Molecular docking supported these findings, highlighting strong binding affinities of stigmasterol and desmosterol to catalase, an enzyme critical for reducing oxidative stress. These results position <i>P. heleniae</i> as a promising source of natural antioxidants with potential pharmaceutical applications, while emphasizing the importance of conserving Ecuador's biodiversity and its bioactive resources.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2000,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11946216/pdf/","citationCount":"0","resultStr":"{\"title\":\"Volatile Compositional Profile, Antioxidant Properties, and Molecular Docking of Ethanolic Extracts from <i>Philodendron heleniae</i>.\",\"authors\":\"Melanie Ochoa-Ocampo, Nina Espinosa de Los Monteros-Silva, Jefferson V Pastuña-Fasso, Juan Diego Sacoto, María Cristina Peñuela-Mora, Gerardo Casanola-Martin, José R Almeida, Karel Diéguez-Santana, Noroska G S Mogollón\",\"doi\":\"10.3390/molecules30061366\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Antioxidants are essential compounds with diverse applications, and medicinal plants are a natural source of these biomolecules. <i>Philodendron heleniae</i>, a species native to the Ecuadorian Amazon, belongs to a genus renowned for its traditional therapeutic uses. Extracts from the stems and roots of several <i>Philodendron</i> species have been widely used to treat stress, bladder disorders, and snakebite wounds, underscoring their medicinal potential. This study investigates the volatile composition, antioxidant properties, and molecular docking of ethanolic extracts from <i>P. heleniae</i>, aiming to expand its applications. Phytochemical analysis revealed a rich profile of tannins, phenolic compounds, flavonoids, and terpenoids. Antioxidant assays (ABTS and DPPH) demonstrated the extract's strong free radical scavenging capacity, comparable to the standard Trolox. GC-MS analysis identified 48 volatile and semi-volatile metabolites, predominantly phenolic compounds, terpenoids, and lipid-like molecules. Fractionation of the crude ethanolic extract into aqueous and ethanolic fractions simplifies the downstream analytical steps and facilitates the identification and the evaluation of the higher abundance of antioxidant-related metabolites. Molecular docking supported these findings, highlighting strong binding affinities of stigmasterol and desmosterol to catalase, an enzyme critical for reducing oxidative stress. These results position <i>P. heleniae</i> as a promising source of natural antioxidants with potential pharmaceutical applications, while emphasizing the importance of conserving Ecuador's biodiversity and its bioactive resources.</p>\",\"PeriodicalId\":19041,\"journal\":{\"name\":\"Molecules\",\"volume\":\"30 6\",\"pages\":\"\"},\"PeriodicalIF\":4.2000,\"publicationDate\":\"2025-03-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11946216/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecules\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.3390/molecules30061366\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecules","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3390/molecules30061366","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
Volatile Compositional Profile, Antioxidant Properties, and Molecular Docking of Ethanolic Extracts from Philodendron heleniae.
Antioxidants are essential compounds with diverse applications, and medicinal plants are a natural source of these biomolecules. Philodendron heleniae, a species native to the Ecuadorian Amazon, belongs to a genus renowned for its traditional therapeutic uses. Extracts from the stems and roots of several Philodendron species have been widely used to treat stress, bladder disorders, and snakebite wounds, underscoring their medicinal potential. This study investigates the volatile composition, antioxidant properties, and molecular docking of ethanolic extracts from P. heleniae, aiming to expand its applications. Phytochemical analysis revealed a rich profile of tannins, phenolic compounds, flavonoids, and terpenoids. Antioxidant assays (ABTS and DPPH) demonstrated the extract's strong free radical scavenging capacity, comparable to the standard Trolox. GC-MS analysis identified 48 volatile and semi-volatile metabolites, predominantly phenolic compounds, terpenoids, and lipid-like molecules. Fractionation of the crude ethanolic extract into aqueous and ethanolic fractions simplifies the downstream analytical steps and facilitates the identification and the evaluation of the higher abundance of antioxidant-related metabolites. Molecular docking supported these findings, highlighting strong binding affinities of stigmasterol and desmosterol to catalase, an enzyme critical for reducing oxidative stress. These results position P. heleniae as a promising source of natural antioxidants with potential pharmaceutical applications, while emphasizing the importance of conserving Ecuador's biodiversity and its bioactive resources.
期刊介绍:
Molecules (ISSN 1420-3049, CODEN: MOLEFW) is an open access journal of synthetic organic chemistry and natural product chemistry. All articles are peer-reviewed and published continously upon acceptance. Molecules is published by MDPI, Basel, Switzerland. Our aim is to encourage chemists to publish as much as possible their experimental detail, particularly synthetic procedures and characterization information. There is no restriction on the length of the experimental section. In addition, availability of compound samples is published and considered as important information. Authors are encouraged to register or deposit their chemical samples through the non-profit international organization Molecular Diversity Preservation International (MDPI). Molecules has been launched in 1996 to preserve and exploit molecular diversity of both, chemical information and chemical substances.