{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T14:45:35Z","timestamp":1785768335033,"version":"3.56.0"},"reference-count":39,"publisher":"Springer Science and Business Media LLC","issue":"8","license":[{"start":{"date-parts":[[2026,7,21]],"date-time":"2026-07-21T00:00:00Z","timestamp":1784592000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2026,7,21]],"date-time":"2026-07-21T00:00:00Z","timestamp":1784592000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Antonie van Leeuwenhoek"],"published-print":{"date-parts":[[2026,8]]},"DOI":"10.1007\/s10482-026-02379-7","type":"journal-article","created":{"date-parts":[[2026,7,20]],"date-time":"2026-07-20T23:05:48Z","timestamp":1784588748000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Computational design of oleuropein as a potential antifungal agent and enzyme engineering targeting multidrug-resistant fusarium species"],"prefix":"10.1007","volume":"119","author":[{"given":"Farideh","family":"Ghalamfarsa","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Azizeh","family":"ShadiDizaji","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kagan Tolga","family":"Cinisli","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamad","family":"Warda","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mahmut Sinan","family":"Taspinar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmet","family":"Hac\u0131muftuoglu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,7,21]]},"reference":[{"issue":"9","key":"2379_CR1","doi-asserted-by":"publisher","first-page":"3263","DOI":"10.1080\/07391102.2020.1763199","volume":"39","author":"I Abdelli","year":"2021","unstructured":"Abdelli I, Hassani F, Bekkel Brikci S, Ghalem S (2021) In silico study of the inhibition of angiotensin-converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria. J Biomol Struct Dyn 39(9):3263\u20133276. https:\/\/doi.org\/10.1080\/07391102.2020.1763199","journal-title":"J Biomol Struct Dyn"},{"key":"2379_CR2","doi-asserted-by":"crossref","unstructured":"Tian W, Chen C, Lei X, Zhao J, & Liang J. (2018) CASTp 3.0: computed atlas of surface topography of proteins. Nucleic acids research , 46 (W1):W363-W367. http:\/\/sts.bioe.uic.edu\/castp\/index.html?201l","DOI":"10.1093\/nar\/gky473"},{"key":"2379_CR3","doi-asserted-by":"crossref","unstructured":"Adasme et al PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA. (NAR 2021). https:\/\/plip-tool.biotec.tu-dresden.de\/plip-web\/plip\/index.","DOI":"10.1093\/nar\/gkab294"},{"key":"2379_CR4","doi-asserted-by":"publisher","DOI":"10.1186\/s12906-024-04596-x","volume":"24","author":"F Al-Rimawi","year":"2024","unstructured":"Al-Rimawi F, Sbeih M, Amayreh M et al (2024) Evaluation of the antibacterial and antifungal properties of oleuropein, Olea europaea leaf extract, and Thymus vulgaris oil. BMC Complement Med Ther 24:297. https:\/\/doi.org\/10.1186\/s12906-024-04596-x","journal-title":"BMC Complement Med Ther"},{"key":"2379_CR5","doi-asserted-by":"publisher","DOI":"10.1016\/j.sciaf.2024.e02382","volume":"26","author":"D Amon","year":"2024","unstructured":"Amon D, Manu P, Asante-Kwatia E, Mante PK, Danquah CA, Borquaye LS, Ekuadzi E (2024) Antimicrobial resistance modifying effects and molecular docking studies of Affinine, derived from Tabernaemontana crassa. Sci Afr 26:e02382. https:\/\/doi.org\/10.1016\/j.sciaf.2024.e02382","journal-title":"Sci Afr"},{"key":"2379_CR6","volume":"150","author":"TR Baldwin","year":"2021","unstructured":"Baldwin TR, Huang X, McVey DS (2021) Computational approaches to discover novel antifungal agents. Fungal Genet Biol 150:103510","journal-title":"Fungal Genet Biol"},{"key":"2379_CR33","doi-asserted-by":"publisher","unstructured":"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H,  Shindyalov IN, Bourne PE (2000) The Protein Data Bank. Nucleic Acids Research 28: 235\u2013242. https:\/\/doi.org\/10.1093\/nar\/28.1.235.","DOI":"10.1093\/nar\/28.1.235"},{"key":"2379_CR7","doi-asserted-by":"publisher","DOI":"10.1016\/j.tmaid.2022.102481","volume":"50","author":"M Bhattacharya","year":"2022","unstructured":"Bhattacharya M, Chatterjee S, Nag S, Dhama K, Chakraborty C (2022) Designing, characterization, and immune stimulation of a novel multi-epitopic peptide-based potential vaccine candidate against monkeypox virus through screening its whole genome encoded proteins: an immunoinformatics approach. Travel Med Infect Dis 50:102481. https:\/\/doi.org\/10.1016\/j.tmaid.2022.102481","journal-title":"Travel Med Infect Dis"},{"key":"2379_CR8","doi-asserted-by":"crossref","unstructured":"Bouamrane, Z., Belattar, H., Boutellaa, S., Menakh, M., Derbal, N., Y\u0131ld\u0131z, I., & Erenler, R. (2025). Dual control of mosquito and stored grain pests by two Algerian Ruta species: novel insights into chemical profiling and molecular docking. International Journal of Tropical Insect Science , 45 (6):2773\u20132789.","DOI":"10.1007\/s42690-025-01623-3"},{"key":"2379_CR9","doi-asserted-by":"publisher","unstructured":"Bulotta, S., Oliverio, M., Russo, D., Procopio, A. (2013). Biological activity of oleuropein and its derivatives. In: Ramawat, K., M\u00e9rillon, JM. (eds) Natural products. Springer, Berlin, Heidelberg. https:\/\/doi.org\/10.1007\/978-3-642-22144-6_156.","DOI":"10.1007\/978-3-642-22144-6_156"},{"issue":"1","key":"2379_CR10","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1002\/etc.5766","volume":"43","author":"QC Burandt","year":"2024","unstructured":"Burandt QC, Deising HB, von Tiedemann A (2024) Further limitations of synthetic fungicide use and expansion of organic agriculture in Europe will increase the environmental and health risks of chemical crop protection caused by copper\u2010containing fungicides. Environ Toxicol Chem 43(1):19\u201330","journal-title":"Environ Toxicol Chem"},{"key":"2379_CR11","first-page":"181","volume-title":"Methods in enzymology","author":"JM Choi","year":"2020","unstructured":"Choi JM, Kim HS (2020) Structure-guided rational design of the substrate specificity and catalytic activity of an enzyme. Methods in enzymology, vol 643. Academic Press, pp 181\u2013202"},{"key":"2379_CR12","unstructured":"Choudhury AA & Devi Rajeswari V (2023) Computational analysis of potential drug-like compounds from Solanum torvum-A promising phytotherapeutics approach for the treatment of diabetes. J Biomol Struct Dyn 1\u201319"},{"issue":"5","key":"2379_CR13","doi-asserted-by":"publisher","first-page":"531","DOI":"10.1002\/prot.26037","volume":"89","author":"N Cirauqui Diaz","year":"2021","unstructured":"Cirauqui Diaz N, Frezza E, Martin J (2021) Using normal mode analysis on protein structural models: How far can we go on our predictions? Proteins 89(5):531\u2013543. https:\/\/doi.org\/10.1002\/prot.26037","journal-title":"Proteins"},{"issue":"18","key":"2379_CR14","doi-asserted-by":"publisher","first-page":"2101","DOI":"10.1093\/bioinformatics\/btn392","volume":"24","author":"R Gautier","year":"2008","unstructured":"Gautier R, Douguet D, Antonny B, Drin G (2008) HELIQUEST: a web server to screen sequences with specific \u03b1-helical properties. Bioinformatics 24(18):2101\u20132102","journal-title":"Bioinformatics"},{"key":"2379_CR15","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2021.117284","author":"L Gonzalez-Paz","year":"2021","unstructured":"Gonzalez-Paz L, Hurtado-Le\u00f3n ML, Lossada C, Fern\u00e1ndez-Mater\u00e1n FV, Vera-Villalobos J, Lorono M, Alvarado YJ (2021) Structural deformability induced in proteins of potential interest associated with COVID-19 by binding of homologues present in ivermectin: comparative study based on elastic network models. J Mol Liq. https:\/\/doi.org\/10.1016\/j.molliq.2021.117284","journal-title":"J Mol Liq"},{"key":"2379_CR38","unstructured":"http:\/\/loschmidt.chemi.muni.cz\/hotspotwizard"},{"issue":"10","key":"2379_CR16","doi-asserted-by":"publisher","first-page":"2703","DOI":"10.1080\/07391102.2018.1495576","volume":"37","author":"Y Hu","year":"2019","unstructured":"Hu Y, Zhou L, Zhu X, Dai D, Bao Y, Qiu Y (2019) Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors. J Biomol Struct Dyn 37(10):2703\u20132715. https:\/\/doi.org\/10.1080\/07391102.2018.1495576","journal-title":"J Biomol Struct Dyn"},{"issue":"24","key":"2379_CR17","doi-asserted-by":"publisher","first-page":"13310","DOI":"10.1039\/C7RA13059G","volume":"8","author":"S Kazazic","year":"2018","unstructured":"Kazazic S, Karacic Z, Sabljic I, Agic D, Tomin M, Abramic M, Tomic S (2018) Conservation of the conformational dynamics and ligand binding within M49 enzyme family. RSC Adv 8(24):13310\u201313322","journal-title":"RSC Adv"},{"issue":"9","key":"2379_CR18","doi-asserted-by":"publisher","first-page":"1874","DOI":"10.1039\/C7MB00210F","volume":"13","author":"S Khan","year":"2017","unstructured":"Khan S, Farooq U, Kurnikova M (2017) Protein stability and dynamics influenced by ligands in extremophilic complexes\u2014a molecular dynamics investigation. Mol Biosyst 13(9):1874\u20131887","journal-title":"Mol Biosyst"},{"issue":"D1","key":"2379_CR19","doi-asserted-by":"publisher","first-page":"D1373","DOI":"10.1093\/nar\/gkac956","volume":"51","author":"S Kim","year":"2023","unstructured":"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE (2023) PubChem 2023 update. Nucleic Acids Res 51(D1):D1373\u2013D1380. https:\/\/doi.org\/10.1093\/nar\/gkac956","journal-title":"Nucleic Acids Res"},{"issue":"59","key":"2379_CR20","doi-asserted-by":"publisher","first-page":"35856","DOI":"10.1039\/D0RA06849G","volume":"10","author":"N Kumar","year":"2020","unstructured":"Kumar N, Sood D, Chandra R (2020) Design and optimization of a subunit vaccine targeting COVID-19 molecular shreds using an immunoinformatics framework. RSC Adv 10(59):35856\u201335872. https:\/\/doi.org\/10.1039\/D0RA06849G","journal-title":"RSC Adv"},{"issue":"2","key":"2379_CR21","doi-asserted-by":"publisher","first-page":"41","DOI":"10.1007\/s10142-024-01319-w","volume":"24","author":"D Lal","year":"2024","unstructured":"Lal D, Dev D, Kumari S, Pandey S, Aparna, Sharma N, Singh A (2024) Fusarium wilt pandemic: current understanding and molecular perspectives. Funct Integr Genom 24(2):41","journal-title":"Funct Integr Genom"},{"key":"2379_CR22","doi-asserted-by":"publisher","first-page":"48","DOI":"10.1016\/j.jmgm.2018.11.006","volume":"87","author":"H Lee","year":"2019","unstructured":"Lee H (2019) Effects of hydrophobic and hydrogen-bond interactions on the binding affinity of antifreeze proteins to specific ice planes. J Mol Graph Model 87:48\u201355","journal-title":"J Mol Graph Model"},{"key":"2379_CR23","unstructured":"Li XB, Burkowski FJ, Wolkowicz H (2016) Protein structure normal mode analysis on the positive semidefinite matrix manifold. In: Proceedings of the 8th international conference on bioinformatics and computational biology (BICOB 2016)"},{"key":"2379_CR24","doi-asserted-by":"publisher","first-page":"W271","DOI":"10.1093\/nar\/gku339","volume":"42","author":"JR L\u00f3pez-Blanco","year":"2014","unstructured":"L\u00f3pez-Blanco JR, Aliaga JI, Quintana-Ort\u00ed ES, Chac\u00f3n P (2014) iMODS: internal coordinates normal mode analysis server. Nucleic Acids Res 42:W271\u2013W276","journal-title":"Nucleic Acids Res"},{"issue":"1","key":"2379_CR25","doi-asserted-by":"publisher","first-page":"39","DOI":"10.1007\/s44371-025-00121-2","volume":"2","author":"P Manu","year":"2025","unstructured":"Manu P, Abakah A, Anfu PK, Osei-Poku P, Kwarteng A (2025) Disrupting quorum sensing by exploring conformational dynamics and active site flexibility of LasR protein in Pseudomonas aeruginosa. Discov Chem 2(1):39. https:\/\/doi.org\/10.1007\/s44371-025-00121-2","journal-title":"Discov Chem"},{"key":"2379_CR26","doi-asserted-by":"publisher","DOI":"10.1155\/2024\/8843954","author":"P Manu","year":"2024","unstructured":"Manu P, Nketia PB, Osei-Poku P, Kwarteng A (2024) Computational mutagenesis and inhibition of staphylococcus aureus AgrA LytTR domain using phenazine scaffolds: insight from a biophysical study. BioMed Res Int. https:\/\/doi.org\/10.1155\/2024\/8843954","journal-title":"BioMed Res Int"},{"key":"2379_CR27","doi-asserted-by":"publisher","DOI":"10.1002\/slct.202203773","volume":"8","author":"JO Mensah","year":"2023","unstructured":"Mensah JO, Boakye A, Manu P, Nketia PB, Gasu EN, Asiamah I, Borquaye LS (2023) Computational studies provide a molecular basis for quorum sensing inhibitory action of compounds from Dioon spinulosum Dyer ex Eichler. ChemistrySelect 8:e202203773. https:\/\/doi.org\/10.1002\/slct.202203773","journal-title":"ChemistrySelect"},{"key":"2379_CR28","doi-asserted-by":"publisher","DOI":"10.1016\/j.prenap.2025.100448","author":"CN Mensah","year":"2025","unstructured":"Mensah CN, Manu P, Benle R, Antwi EAA, Laryea MK, Darko G, Amengor CD, Borquaye LS (2025) Antifungal potential of Salacia debilis extracts and compounds against Candida albicans: biofilm inhibition, synergistic effects and computational studies. Prenatal Antimicrob Pept. https:\/\/doi.org\/10.1016\/j.prenap.2025.100448","journal-title":"Prenatal Antimicrob Pept"},{"issue":"3","key":"2379_CR29","doi-asserted-by":"publisher","first-page":"311","DOI":"10.1111\/j.1364-3703.2009.00538.x","volume":"10","author":"CB Michielse","year":"2009","unstructured":"Michielse CB, Rep M (2009) Pathogen profile update: Fusarium oxysporum. Mol Plant Pathol 10(3):311\u2013324","journal-title":"Mol Plant Pathol"},{"key":"2379_CR30","doi-asserted-by":"publisher","first-page":"151","DOI":"10.3389\/fbioe.2020.00151","volume":"8","author":"I Muzzalupo","year":"2020","unstructured":"Muzzalupo I, Badolati G, Chiappetta A, Picci N, Muzzalupo R (2020) In vitro antifungal activity of olive (Olea europaea) leaf extracts loaded in chitosan nanoparticles. Front Bioeng Biotechnol 8:151. https:\/\/doi.org\/10.3389\/fbioe.2020.00151","journal-title":"Front Bioeng Biotechnol"},{"key":"2379_CR31","doi-asserted-by":"publisher","DOI":"10.1177\/11779322251319594","volume":"19","author":"PB Nketia","year":"2025","unstructured":"Nketia PB, Manu P, Osei-Poku P, Kwarteng A (2025) Phenazine scaffolds as a potential allosteric inhibitor of LasR protein in Pseudomonas aeruginosa. Bioinformatics Biol Insights 19:11779322251319594. https:\/\/doi.org\/10.1177\/11779322251319594","journal-title":"Bioinformatics Biol Insights"},{"issue":"13","key":"2379_CR32","doi-asserted-by":"publisher","first-page":"1605","DOI":"10.1002\/jcc.20084","volume":"25","author":"EF Pettersen","year":"2004","unstructured":"Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) UCSF Chimera--a visualization system for exploratory research and analysis. J Comput Chem 25(13):1605\u20131612","journal-title":"J Comput Chem"},{"issue":"4","key":"2379_CR34","first-page":"e02129","volume":"64","author":"RJ Salvador","year":"2020","unstructured":"Salvador RJ, McLean KJ, Munro AW (2020) Advances in computational techniques for antifungal drug discovery: a focus on Fusarium pathogens. Antimicrob Agents Chemother 64(4):e02129-e2219","journal-title":"Antimicrob Agents Chemother"},{"key":"2379_CR35","first-page":"1","volume-title":"Fusarium: genomics, molecular biology, and biotechnology","author":"BA Summerell","year":"2019","unstructured":"Summerell BA (2019) Fusarium: genomics, molecular biology, and biotechnology. CABI Publishing, pp 1\u2013320"},{"key":"2379_CR55","doi-asserted-by":"crossref","unstructured":"Tian, W., Chen, C., Lei, X., Zhao, J., & Liang, J. (2018). CASTp 3.0: computed atlas of surface to pography of proteins. Nucleic acids research , 46 (W1), W363\u2013W367. http:\/\/sts.bioe.uic.edu\/castp\/index.html?2011","DOI":"10.1093\/nar\/gky473"},{"issue":"2","key":"2379_CR36","doi-asserted-by":"publisher","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"O Trott","year":"2010","unstructured":"Trott O, Olson AJ (2010) AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem 31(2):455\u2013461","journal-title":"J Comput Chem"},{"issue":"5","key":"2379_CR37","doi-asserted-by":"publisher","first-page":"522","DOI":"10.1111\/mpp.13041","volume":"22","author":"L Zhang","year":"2021","unstructured":"Zhang L, Yan J, Fu Z, Shi W, Ninkuu V, Li G, Zeng H (2021) FoEG1, a secreted glycoside hydrolase family 12 protein from Fusarium oxysporum, triggers cell death and modulates plant immunity. Mol Plant Pathol 22(5):522\u2013538","journal-title":"Mol Plant Pathol"}],"container-title":["Antonie van Leeuwenhoek"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s10482-026-02379-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s10482-026-02379-7","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s10482-026-02379-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T13:46:01Z","timestamp":1785764761000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s10482-026-02379-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,7,21]]},"references-count":39,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2026,8]]}},"alternative-id":["2379"],"URL":"https:\/\/doi.org\/10.1007\/s10482-026-02379-7","relation":{},"ISSN":["0003-6072","1572-9699"],"issn-type":[{"value":"0003-6072","type":"print"},{"value":"1572-9699","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,7,21]]},"assertion":[{"value":"24 February 2026","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"10 July 2026","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"21 July 2026","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"The authors declare no conflict of interest.","order":1,"name":"Ethics","label":"Conflict of interest","group":{"name":"EthicsHeading","label":"Declarations"}}],"article-number":"170"}}