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Molecular Docking Prediction Between Anthocyanins Reported for Andean Berry (Vaccinium meridionale Swartz) with Proteins Involved in the Apoptosis

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  • First Online:
IX Latin American Congress on Biomedical Engineering and XXVIII Brazilian Congress on Biomedical Engineering (CLAIB 2022, CBEB 2022)

Part of the book series: IFMBE Proceedings ((IFMBE,volume 98))

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Abstract

Anthocyanins are polyphenols contained in berries. There is evidence that act as possible modulators in cell death mechanisms like apoptosis. Cancer is a relevant scenario where modulate apoptosis can be relevant. For this reason, in this study it was evaluated the binding molecular affinity with apoptotic proteins of some anthocyanins from Vaccinium meridionale Swartz berry to identify potential antitumoral biological compounds. Cyanidin 3-glucoside, cyanidin 3-galactoside, and delphinidin 3-glucoside structures were downloaded from PubChem and crystalographic structures of apoptosis proteins were obtained from Protein Data Bank. Docking experiments in silico were implemented with structures prepared. Cyanidin 3-glucoside and cyanidin 3-galactoside showed the best affinity with FADD/fas protein while delphinidin 3-glucoside with procaspase 3 protein. These results of affinity suggest a potential proapoptotic activity related with these anthocyanins.

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Acknowledgment

The authors would like to express their acknowledgments to the Instituto Tecnológico Metropolitano for financial support. Young researchers and innovators program (code P20247) and Research Group "Grupo de Investigación e Innovación Biomédica GI2B" are also acknowledged.

Conflict of Interest

The authors declare that they have no conflict of interest.

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Authors and Affiliations

  1. Grupo de Investigación e Innovación Biomédica GI2B, Instituto Tecnológico Metropolitano, Medellin, Colombia

    Myriam Liliana Agudelo-Quintero, Sandra Arango Varela & Jorge Alejandro Lopera-Rodríguez

Authors
  1. Myriam Liliana Agudelo-Quintero
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  2. Sandra Arango Varela
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  3. Jorge Alejandro Lopera-Rodríguez
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Corresponding author

Correspondence to Myriam Liliana Agudelo-Quintero .

Editor information

Editors and Affiliations

  1. Institute of Biomedical Engineering, Department of Electrical and Electronic Engineering, Federal University of Santa Catarina, Florianópolis, Brazil

    Jefferson Luiz Brum Marques

  2. Institute of Biomedical Engineering, Department of Electrical and Electronic Engineering, Federal University of Santa Catarina, Florianópolis, Brazil

    Cesar Ramos Rodrigues

  3. Institute of Biomedical Engineering, Department of Electrical and Electronic Engineering, Federal University of Santa Catarina, Florianópolis, Brazil

    Daniela Ota Hisayasu Suzuki

  4. Institute of Biomedical Engineering, Federal University of Santa Catarina, Florianópolis, Brazil

    José Marino Neto

  5. Institute of Biomedical Engineering, Department of Electrical and Electronic Engineering, Federal University of Santa Catarina, Florianópolis, Brazil

    Renato García Ojeda

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Agudelo-Quintero, M.L., Varela, S.A., Lopera-Rodríguez, J.A. (2024). Molecular Docking Prediction Between Anthocyanins Reported for Andean Berry (Vaccinium meridionale Swartz) with Proteins Involved in the Apoptosis. In: Marques, J.L.B., Rodrigues, C.R., Suzuki, D.O.H., Marino Neto, J., García Ojeda, R. (eds) IX Latin American Congress on Biomedical Engineering and XXVIII Brazilian Congress on Biomedical Engineering. CLAIB CBEB 2022 2022. IFMBE Proceedings, vol 98. Springer, Cham. https://doi.org/10.1007/978-3-031-49401-7_22

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  • DOI: https://doi.org/10.1007/978-3-031-49401-7_22

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  • Online ISBN: 978-3-031-49401-7

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