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Graphene oxide/polyvinylpyrrolidone-doped MoO3 nanocomposites used for dye degradation and their antibacterial activity: a molecular docking analysis

  • Datos identificativos

    Identificador: imarina:9320737
    Autores:
    Ikram, MAtiq, IButt, ARShahzadi, IUl-Hamid, AHaider, ANabgan, WMedina, F
    Resumen:
    In this study, MoO3 nanostructures were prepared, doped with various concentrations of graphene oxide (2 and 4% GO) and a fixed amount of polyvinylpyrrolidone (PVP) using the co-precipitation method. The motive of this study was to examine the catalytic and antimicrobial efficacy with evidential molecular docking analyses of GO/PVP-doped MoO3. GO and PVP were utilized as doping agents to reduce the exciton recombination rate of MoO3 by providing more active sites that increase the antibacterial activity of MoO3. The prepared binary dopant (GO and PVP)-dependent MoO3 was used as an effective antibacterial agent against Escherichia coli (E. coli). Notably, 4% GO/PVP-doped MoO3 showed good bactericidal potential against E. coli at higher concentrations in comparison to ciprofloxacin. Furthermore, in silico docking revealed the possible inhibitory impact of the synthesized nanocomposites on folate and fatty acid synthesis enzymes, dihydrofolate reductase and enoyl-[acyl carrier protein] reductase, respectively.
  • Otros:

    Autor según el artículo: Ikram, M; Atiq, I; Butt, AR; Shahzadi, I; Ul-Hamid, A; Haider, A; Nabgan, W; Medina, F
    Departamento: Enginyeria Química
    Autor/es de la URV: Medina Cabello, Francisco / Nabgan, Walid
    Palabras clave: Moo nanorods 3 Molecular docking Catalytic activity Antibacterial activity Analysis
    Resumen: In this study, MoO3 nanostructures were prepared, doped with various concentrations of graphene oxide (2 and 4% GO) and a fixed amount of polyvinylpyrrolidone (PVP) using the co-precipitation method. The motive of this study was to examine the catalytic and antimicrobial efficacy with evidential molecular docking analyses of GO/PVP-doped MoO3. GO and PVP were utilized as doping agents to reduce the exciton recombination rate of MoO3 by providing more active sites that increase the antibacterial activity of MoO3. The prepared binary dopant (GO and PVP)-dependent MoO3 was used as an effective antibacterial agent against Escherichia coli (E. coli). Notably, 4% GO/PVP-doped MoO3 showed good bactericidal potential against E. coli at higher concentrations in comparison to ciprofloxacin. Furthermore, in silico docking revealed the possible inhibitory impact of the synthesized nanocomposites on folate and fatty acid synthesis enzymes, dihydrofolate reductase and enoyl-[acyl carrier protein] reductase, respectively.
    Áreas temáticas: Química Medicina ii Medicina i Materiais Interdisciplinar General chemistry Farmacia Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Biotecnología Biodiversidade
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    Direcció de correo del autor: walid.nabgan@urv.cat francesc.medina@urv.cat
    Identificador del autor: 0000-0001-9901-862X 0000-0002-3111-1542
    Fecha de alta del registro: 2024-08-03
    Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
    Enlace a la fuente original: https://www.frontiersin.org/articles/10.3389/fchem.2023.1191849/full
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referencia al articulo segun fuente origial: Frontiers In Chemistry. 11
    Referencia de l'ítem segons les normes APA: Ikram, M; Atiq, I; Butt, AR; Shahzadi, I; Ul-Hamid, A; Haider, A; Nabgan, W; Medina, F (2023). Graphene oxide/polyvinylpyrrolidone-doped MoO3 nanocomposites used for dye degradation and their antibacterial activity: a molecular docking analysis. Frontiers In Chemistry, 11(), -. DOI: 10.3389/fchem.2023.1191849
    DOI del artículo: 10.3389/fchem.2023.1191849
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2023
    Tipo de publicación: Journal Publications
  • Palabras clave:

    Chemistry (Miscellaneous),Chemistry, Multidisciplinary
    Moo nanorods 3
    Molecular docking
    Catalytic activity
    Antibacterial activity
    Analysis
    Química
    Medicina ii
    Medicina i
    Materiais
    Interdisciplinar
    General chemistry
    Farmacia
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências ambientais
    Chemistry, multidisciplinary
    Chemistry (miscellaneous)
    Chemistry (all)
    Biotecnología
    Biodiversidade
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