Rutin-Functionalized Multi-Walled Carbon Nanotubes: Molecular Docking, Physicochemistry and Cytotoxicity in Fibroblasts

Conrado M S Neto; Felipe C Lima; Renata P Morais; Lucas R M de Andrade; Renata de Lima; Marco V Chaud; Matheus M Pereira; Ricardo L C de Albuquerque Júnior; Juliana C Cardoso; Aleksandra Zielińska; Eliana B Souto; Álvaro S Lima; Patrícia Severino

doi:10.3390/toxics9080173

Rutin-Functionalized Multi-Walled Carbon Nanotubes: Molecular Docking, Physicochemistry and Cytotoxicity in Fibroblasts

Toxics. 2021 Jul 22;9(8):173. doi: 10.3390/toxics9080173.

Authors

Affiliations

¹ Institute of Technology and Research (ITP), University of Tiradentes (UNIT), Av. Murilo Dantas, 300, Aracaju 49010-390, Brazil.
² School of Bioprocess Engineering and Biotechnology, Sorocaba University, Rodovia Raposo Tavares km 92, Sorocaba 18023-000, São Paulo, Brazil.
³ Department of Chemistry, CICECO-Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro, Portugal.
⁴ Institute of Human Genetics, Polish Academy of Sciences Poznan, 60-479 Poznan, Poland.
⁵ Department of Pharmaceutical Technology, Faculty of Pharmacy, University of Coimbra, Pólo das Ciências da Saúde, Azinhaga de Santa Comba, 3000-548 Coimbra, Portugal.
⁶ CEB-Centre of Biological Engineering, University of Minho, Campus de Gualtar, 4710-057 Braga, Portugal.

Abstract

Multi-Walled Carbon Nanotubes (MWCNT) have been functionalized with rutin through three steps (i. reaction step; ii. purification step; iii. drying step) and their physicochemical properties investigated with respect to morphological structure, thermal analysis, Fourier Transform Infrared Spectroscopy (FTIR), and cytotoxicity. The molecular docking suggested the rutin-functionalized MWCNT occurred by hydrogen bonds, which was confirmed by FTIR assays, corroborating the results obtained by thermal analyses. A tubular shape, arranged in a three-dimensional structure, could be observed. Mild cytotoxicity observed in 3T3 fibroblasts suggested a dose-effect relationship after exposure. These findings suggest the formation of aggregates of filamentous structures on the cells favoring the cell penetration.

Keywords: cytotoxicity; drug delivery; flavonoids; multi-walled carbon nanotubes; rutin.

Abstract

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