Dataset Persistent ID
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doi:10.23708/FVNRDU |
Publication Date
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2021-12-22 |
Title
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Supporting information for: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities.
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Author
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Castro, Inés (UMR PHARMADEV - IRD, Paul Sabatier-Toulouse 3 University - France; Laboratorios de Investigación y Desarrollo - Facultad de Ciencias y Filosofía, Universidad Peruana Cayetano Heredia - Peru)
André-Barrès, Christiane (UMR 5068 LSPCMIB - Toulouse University, CNRS, UPS - France) - ORCID: 0000-0002-8973-1875
Fabre, Nicolas (UMR PHARMADEV - IRD, Paul Sabatier-Toulouse 3 University - France) - ORCID: 0000-0001-5896-5700
Massou, Stéphane (Institut de Chimie de Toulouse, ICT FR 2599 - Université Paul Sabatier-Toulouse 3 - France)
Sauvain, Michel (UMR PHARMADEV - IRD, Paul Sabatier-Toulouse 3 University - France; Laboratorios de Investigación y Desarrollo - Facultad de Ciencias y Filosofía, Universidad Peruana Cayetano Heredia - Peru) - ORCID: 0000-0003-3919-532X
Castillo Pareja, Denis (Laboratorios de Investigación y Desarrollo - Facultad de Ciencias y Filosofía, Universidad Peruana Cayetano Heredia - Peru) - ORCID: 0000-0003-1010-2353
Jullian, Valérie (UMR PHARMADEV - IRD, Paul Sabatier-Toulouse 3 University - France; Laboratorios de Investigación y Desarrollo - Facultad de Ciencias y Filosofía, Universidad Peruana Cayetano Heredia - Peru) - ORCID: 0000-0002-1675-9105
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Contact
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Use email button above to contact.
Jullian, Valérie (UMR PHARMADEV - IRD, Paul Sabatier-Toulouse 3 University - France; Laboratorios de Investigación y Desarrollo - Facultad de Ciencias y Filosofía, Universidad Peruana Cayetano Heredia - Peru)
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Description
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This set of data is supporting research on a widely used peruvian medicinal plant, Cordia lutea. Four new compounds, Cordiasecosides G-J were isolated. Their structural assignment is based on NMR and MS analysis. Their stereochemistry is confirmed by molecular modelling studies using DFT-NMR calculations. Their antibacterial and toxicity against celle lines was evaluated.
This set of data contains 1D and 2D NMR spectra for Cordiasecosides G-J, detailed results of DFT calculations and NMR modelisations for Cordiasecoside I including geometries, total energies, enthalpies and Boltzmann distribution; experimental and calculated 13C chemical shifts in the chloroform PCM continuum model (SMD), and RMSD value; calculated 1H chemical shifts and coupling constants for the major conformers ; 1H NMR spectrum simulated at 300 MHz using MestReNova software, purification diagram for Cordiasecosides G-J , detailed protocols for MPLC used for purification of Cordiasecosides G-J, dose-response curves for Cordiasecosides G-J tested against RAW cells 264.7 (2021-12-21)
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Subject
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Chemistry; Medicine, Health and Life Sciences
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Keyword
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Cordia lutea
Cordiasecosides
NMR spectra
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Scientific Theme
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Natural substances (NumeriSud) https://numerisud.ird.fr/documents-et-films/(thematique)/Oc%C3%A9anographie+/+Hydrobiologie_Substances+naturelles+aquatiques
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Related Publication
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Castro, I. et al. (2022) « Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities », Fitoterapia. Elsevier BV. doi: 10.1016/j.fitote.2022.105172 https://doi.org/10.1016/j.fitote.2022.105172
Castro, I. et al. (2019) « Structural Characterization and Anti-infective Activity of 9,10-Seco-29-norcycloartane Glycosides Isolated from the Flowers of the Peruvian Medicinal Plant Cordia lutea », Journal of Natural Products. American Chemical Society (ACS). doi:10.1021/acs.jnatprod.9b00149. doi: 10.1021/acs.jnatprod.9b00149 https://doi.org/10.1021/acs.jnatprod.9b00149
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Language
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English
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Depositor
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Jullian, Valérie
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Deposit Date
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2021-12-21
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Time Period Covered
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Start: 2017-05-01 ";" End: 2020-02-13
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Date of Collection
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Start: 2017-05-01 ";" End: 2017-05-31
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Kind of Data
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Experimental data
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Software
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MestReNova, Version: 14.2.0-26256
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