{"data":{"id":"10.6084/m9.figshare.1263908.v1","type":"dois","attributes":{"doi":"10.6084/m9.figshare.1263908.v1","prefix":"10.6084","suffix":"m9.figshare.1263908.v1","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Sowrirajan Chandrasekaran","affiliation":[],"nameIdentifiers":[]},{"name":"Natesan Sudha","affiliation":[],"nameIdentifiers":[]},{"name":"D. Premnath","affiliation":[],"nameIdentifiers":[]},{"name":"Enoch, Israel V.M.V.","nameType":"Personal","givenName":"Israel V.M.V.","familyName":"Enoch","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Binding of a chromen-4-one Schiff’s base with bovine serum albumin: capping with β-cyclodextrin influences the binding"}],"publisher":"Taylor \u0026 Francis","container":{},"publicationYear":2015,"subjects":[{"subject":"Immunology"},{"subject":"FOS: Clinical medicine","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Clinical medicine","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Chemistry"},{"subject":"Microbiology"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Biological sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Physics"},{"subject":"Engineering"},{"subject":"Biochemistry"},{"subject":"Biophysics"}],"contributors":[],"dates":[{"date":"2015-07-16","dateType":"Created"},{"date":"2016-01-19","dateType":"Updated"},{"date":"2015","dateType":"Issued"}],"language":null,"types":{"ris":"DATA","bibtex":"misc","citeproc":"dataset","schemaOrg":"Dataset","resourceType":"Dataset","resourceTypeGeneral":"Dataset"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1080/07391102.2014.980323","relatedIdentifierType":"DOI"},{"relationType":"IsPreviousVersionOf","relatedIdentifier":"10.6084/m9.figshare.1263908","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":["25927335 Bytes"],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"This work deals with the synthesis of 6-methyl-3-[(4′-methylphenyl)imino]methyl-4H-chromen-4-one (MMPIMC), its binding to β-cyclodextrin, and the influence of the cyclodextrin complexation on the compound’s binding to bovine serum albumin (BSA). The 1:2 stoichiometry for the complexation of MMPIMC with β-cyclodextrin is determined with the binding constant of 1.90 × 10\u003csup\u003e4\u003c/sup\u003e M\u003csup\u003e−2\u003c/sup\u003e. The structure of host–guest complex plays a role in protein binding of MMPIMC. One- and two-dimensional NMR spectra are used to determine the mode of binding of the guest to β-cyclodextrin cavity and the structure of the inclusion complex is proposed. The binding of MMPIMC with BSA in the absence and the presence of β-cyclodextrin is studied. The binding strengths of MMPIMC–BSA (1.73 × 10\u003csup\u003e5\u003c/sup\u003e M\u003csup\u003e−1\u003c/sup\u003e) and β-cyclodextrin-complexed MMPIMC–BSA (9.0 × 10\u003csup\u003e4\u003c/sup\u003e M\u003csup\u003e−1\u003c/sup\u003e) show difference in magnitude. The Förster Resonance Energy Transfer efficiency and the proximity of the donor and acceptor molecules, are modulated by β-cyclodextrin. Molecular modeling is used to optimize the sites and mode of binding of MMPIMC with bovine serum albumin.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://tandf.figshare.com/articles/dataset/Binding_of_a_chromen_4_one_Schiff_8217_s_base_with_bovine_serum_albumin_capping_with_946_cyclodextrin_influences_the_binding/1263908/1","contentUrl":null,"metadataVersion":3,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versi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