Articles producció científica> Bioquímica i Biotecnologia

Ephedrine as a lead compound for the development of new DPP-IV inhibitors

  • Identification data

    Identifier: imarina:6389317
    Authors:
    Ojeda-Montes MArdid-Ruiz ATomás-Hernández SGimeno ACereto-Massagué ABeltrán-Debón RMulero MGarcia-Vallvé SPujadas GValls C
    Abstract:
    © 2017 2017 Future Science Ltd. Aim: Extracts from Ephedra species have been reported to be effective as antidiabetics. A previous in silico study predicted that ephedrine and five ephedrine derivatives could contribute to the described antidiabetic effect of Ephedra extracts by inhibiting dipeptidyl peptidase IV (DPP-IV). Finding selective DPP-IV inhibitors is a current therapeutic strategy for Type 2 diabetes mellitus management. Therefore, the main aim of this work is to experimentally determine whether these alkaloids are DPP-IV inhibitors. Materials & methods: The DPP-IV inhibition of Ephedra's alkaloids was determined via a competitive-binding assay. Then, computational analyses were used in order to find out the protein-ligand interactions and to perform a lead optimization. Results: Our results show that all six molecules are DPP-IV inhibitors, with IC50 ranging from 124 μM for ephedrine to 28 mM for N-methylpseudoephedrine. Conclusion: Further computational analysis shows how Ephedra's alkaloids could be used as promising lead molecules for designing more potent and selective DPP-IV inhibitors.
  • Others:

    Author, as appears in the article.: Ojeda-Montes M; Ardid-Ruiz A; Tomás-Hernández S; Gimeno A; Cereto-Massagué A; Beltrán-Debón R; Mulero M; Garcia-Vallvé S; Pujadas G; Valls C
    Department: Bioquímica i Biotecnologia
    URV's Author/s: ARDID RUIZ, ANDREA / Beltrán Debón, Raúl Alejandro / Cereto Massagué, Adrián José / Garcia Vallve, Santiago / Mulero Abellán, Miguel / OJEDA MONTES, Mª JOSÉ / Pujadas Anguiano, Gerard / TOMAS HERNÁNDEZ, SARA / Valls Bautista, Cristina
    Keywords: Structure-based drug design Protein–ligand docking Protein-ligand docking Natural compounds Ephedra extract
    Abstract: © 2017 2017 Future Science Ltd. Aim: Extracts from Ephedra species have been reported to be effective as antidiabetics. A previous in silico study predicted that ephedrine and five ephedrine derivatives could contribute to the described antidiabetic effect of Ephedra extracts by inhibiting dipeptidyl peptidase IV (DPP-IV). Finding selective DPP-IV inhibitors is a current therapeutic strategy for Type 2 diabetes mellitus management. Therefore, the main aim of this work is to experimentally determine whether these alkaloids are DPP-IV inhibitors. Materials & methods: The DPP-IV inhibition of Ephedra's alkaloids was determined via a competitive-binding assay. Then, computational analyses were used in order to find out the protein-ligand interactions and to perform a lead optimization. Results: Our results show that all six molecules are DPP-IV inhibitors, with IC50 ranging from 124 μM for ephedrine to 28 mM for N-methylpseudoephedrine. Conclusion: Further computational analysis shows how Ephedra's alkaloids could be used as promising lead molecules for designing more potent and selective DPP-IV inhibitors.
    Thematic Areas: Saúde coletiva Química Pharmacology Odontología Molecular medicine Medicina ii General medicine Farmacia Engenharias iv Enfermagem Drug discovery Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciência da computação Chemistry, medicinal Biotecnología Astronomia / física
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 17568919
    Author's mail: adrianjose.cereto@urv.cat cristina.valls@urv.cat miquel.mulero@urv.cat santi.garcia-vallve@urv.cat gerard.pujadas@urv.cat raul.beltran@urv.cat
    Author identifier: 0000-0001-5583-5695 0000-0002-0348-7497 0000-0003-2598-8089 0000-0001-9691-1906
    Record's date: 2024-09-07
    Papper version: info:eu-repo/semantics/acceptedVersion
    Link to the original source: https://www.future-science.com/doi/10.4155/fmc-2017-0080
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: Future Medicinal Chemistry. 9 (18): 2129-2146
    APA: Ojeda-Montes M; Ardid-Ruiz A; Tomás-Hernández S; Gimeno A; Cereto-Massagué A; Beltrán-Debón R; Mulero M; Garcia-Vallvé S; Pujadas G; Valls C (2017). Ephedrine as a lead compound for the development of new DPP-IV inhibitors. Future Medicinal Chemistry, 9(18), 2129-2146. DOI: 10.4155/fmc-2017-0080
    Article's DOI: 10.4155/fmc-2017-0080
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2017
    Publication Type: Journal Publications
  • Keywords:

    Chemistry, Medicinal,Drug Discovery,Molecular Medicine,Pharmacology
    Structure-based drug design
    Protein–ligand docking
    Protein-ligand docking
    Natural compounds
    Ephedra extract
    Saúde coletiva
    Química
    Pharmacology
    Odontología
    Molecular medicine
    Medicina ii
    General medicine
    Farmacia
    Engenharias iv
    Enfermagem
    Drug discovery
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências ambientais
    Ciência da computação
    Chemistry, medicinal
    Biotecnología
    Astronomia / física
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