Assessment of catalytic, antimicrobial and molecular docking analysis of starch-grafted polyacrylic acid doped BaO nanostructures

Muhammad Ikram*, Ali Haider, Muhammad Imran, Junaid Haider, Sadia Naz, Anwar Ul-Hamid, Anum Shahzadi, Kinza Ghazanfar, Walid Nabgan, Sawaira Moeen, Salamat Ali

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

40 Scopus citations


The removal of cationic dyes from water has received a great attention of researchers considering their influence on environment and ecosystem. In current work, starch-grafted-poly acrylic acid (St-g-PAA) doped BaO nanostrucutures have been synthesized by co-precipitation approach. The aim of this research was to reduce the harmful methylene blue dye and evaluate the antibacterial activity of St-g-PAA doped BaO. XRD spectra exhibited the tetragonal structure of BaO and no variations occurred upon doping. The optical properties of St-g-PAA doped BaO have been evaluated by UV–Vis spectrophotometer. The existence of a dopant in the product was verified using EDS spectroscopy. TEM revealed the formation of cubic-shaped NPs of BaO and upon the addition of St-g-PAA, a few nanorod-like structures. The higher concentration of St-g-PAA doped BaO exhibit a remarkable reduction of methylene blue in a basic environment. Furthermore, St-g-PAA doped BaO revealed higher antimicrobial efficacy against Staphylococcus aureus in comparison to Escherichia coli. In silico studies were conducted against enoyl-[acylcarrier-protein] reductase (FabI) and beta-lactamase enzyme to evaluate the potential of both St-g-PAA and St-g-PAA doped BaO nanocomposites as their inhibitors and to rationalize their possible mode of action.

Original languageEnglish
Article number123190
JournalInternational Journal of Biological Macromolecules
StatePublished - 1 Mar 2023

Bibliographical note

Publisher Copyright:
© 2023 Elsevier B.V.


  • BaO
  • Catalysis
  • Starch

ASJC Scopus subject areas

  • Structural Biology
  • Biochemistry
  • Molecular Biology


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