Dimitrios Zouraris , Konstantia Graikou , Panagiotis Vasileiou , Vladimir Dimitrov , Zora Dajic Stevanovic , Anna Rita Bilia , Jelena Zivkovic , Alberto Dias , Konstantinos Kasiotis , Konstantinos Gardikis , Paula Dias , Mirko Oluški , Juan Ramón Muñoz Montaño , Hristina Hristova , Hristo Iliev , Giovanna Petrangolini , Antreas Afantitis , Nektarios Aligiannis
{"title":"EthnoHERBS: Harnessing traditional herbal knowledge for biodiversity conservation and innovative health solutions","authors":"Dimitrios Zouraris , Konstantia Graikou , Panagiotis Vasileiou , Vladimir Dimitrov , Zora Dajic Stevanovic , Anna Rita Bilia , Jelena Zivkovic , Alberto Dias , Konstantinos Kasiotis , Konstantinos Gardikis , Paula Dias , Mirko Oluški , Juan Ramón Muñoz Montaño , Hristina Hristova , Hristo Iliev , Giovanna Petrangolini , Antreas Afantitis , Nektarios Aligiannis","doi":"10.1016/j.csbj.2025.03.035","DOIUrl":null,"url":null,"abstract":"<div><div>EthnoHERBS represents a pioneering multidisciplinary initiative that integrates traditional herbal knowledge with advanced natural product chemistry to promote biodiversity conservation and foster innovative cosmeceutical solutions. The project systematically documents centuries-old ethnobotanical practices across South-Eastern Europe, leading to the identification of a diverse array of medicinal and aromatic plants traditionally used to treat skin disorders. Employing environmentally friendly extraction techniques alongside cutting-edge analytical tools—including UHPLC-HRMS, CPC, and NMR spectroscopy—over 500 bioactive compounds have been characterized, with 30 novel secondary metabolites isolated and structurally elucidated. Advanced <em>in silico</em> methodologies, such as docking, molecular dynamics simulations, and MM-GBSA rescoring, were implemented to evaluate the interaction profiles of these compounds with key skin disorder-related enzymes, including elastase, tyrosinase, hyaluronidase, and xanthine oxidase. Complementary in vitro and in vivo assays confirmed the potent antioxidant, anti-inflammatory, and wound-healing properties of the selected extracts. Furthermore, the project underscores sustainable practices by establishing organic cultivation protocols and pilot-scale production processes, ensuring the eco-friendly exploitation of natural resources. By fostering extensive collaboration between academic institutions and industry partners under the Horizon 2020 framework, EthnoHERBS not only advances scientific research and innovative product development but also serves as a model for preserving traditional knowledge and biodiversity.</div></div>","PeriodicalId":10715,"journal":{"name":"Computational and structural biotechnology journal","volume":"29 ","pages":"Pages 85-94"},"PeriodicalIF":4.4000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational and structural biotechnology journal","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2001037025001047","RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
EthnoHERBS represents a pioneering multidisciplinary initiative that integrates traditional herbal knowledge with advanced natural product chemistry to promote biodiversity conservation and foster innovative cosmeceutical solutions. The project systematically documents centuries-old ethnobotanical practices across South-Eastern Europe, leading to the identification of a diverse array of medicinal and aromatic plants traditionally used to treat skin disorders. Employing environmentally friendly extraction techniques alongside cutting-edge analytical tools—including UHPLC-HRMS, CPC, and NMR spectroscopy—over 500 bioactive compounds have been characterized, with 30 novel secondary metabolites isolated and structurally elucidated. Advanced in silico methodologies, such as docking, molecular dynamics simulations, and MM-GBSA rescoring, were implemented to evaluate the interaction profiles of these compounds with key skin disorder-related enzymes, including elastase, tyrosinase, hyaluronidase, and xanthine oxidase. Complementary in vitro and in vivo assays confirmed the potent antioxidant, anti-inflammatory, and wound-healing properties of the selected extracts. Furthermore, the project underscores sustainable practices by establishing organic cultivation protocols and pilot-scale production processes, ensuring the eco-friendly exploitation of natural resources. By fostering extensive collaboration between academic institutions and industry partners under the Horizon 2020 framework, EthnoHERBS not only advances scientific research and innovative product development but also serves as a model for preserving traditional knowledge and biodiversity.
期刊介绍:
Computational and Structural Biotechnology Journal (CSBJ) is an online gold open access journal publishing research articles and reviews after full peer review. All articles are published, without barriers to access, immediately upon acceptance. The journal places a strong emphasis on functional and mechanistic understanding of how molecular components in a biological process work together through the application of computational methods. Structural data may provide such insights, but they are not a pre-requisite for publication in the journal. Specific areas of interest include, but are not limited to:
Structure and function of proteins, nucleic acids and other macromolecules
Structure and function of multi-component complexes
Protein folding, processing and degradation
Enzymology
Computational and structural studies of plant systems
Microbial Informatics
Genomics
Proteomics
Metabolomics
Algorithms and Hypothesis in Bioinformatics
Mathematical and Theoretical Biology
Computational Chemistry and Drug Discovery
Microscopy and Molecular Imaging
Nanotechnology
Systems and Synthetic Biology