Catalytic action and bactericidal behavior of samarium/carbon spheres-doped manganese oxide nanostructures and their molecular docking analysis

Ehtasham Ul Haq, Muhammad Imran, Ali Haider, Anum Shahzadi, Ayesha Habib, Anwar Ul-Hamid, Walid Nabgan*, Majed A. Bajaber, Muhammad Ikram

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The co-precipitation technique was adapted to synthesize different concentrations (2 % and 4 %) of samarium (Sm) doped constant equates of carbon spheres (Cs) and manganese oxide (MnO2). The principal objective of this investigation is to demonstrate confirmation that Sm/Cs-doped MnO2 nanostructures (NSs) owned antibacterial and catalytic attributes. Reduction in surface area manifested to agglomeration, NSs faces become inaccessible to initiate a reaction, can be overcome upon doping of Sm. Sm has the potential to increase the activity of metal oxide ascribed to its electron trapping effect. The structural morphologies, optical properties, functional groups, elemental composition, and d-spacing were determined by applying various characterizations. With the incorporation of CS and Sm, UV–vis spectra shifted towards lower wavelength and band gap energy (Eg) was reduced. MnO2 possessed orthorhombic structure, according to the XRD pattern and TEM exhibited long Burr-like morphology of undoped MnO2. SAED image illustrated that MnO2 is polycrystalline. 4 % Sm/CS doped MnO2 revealed the highest degradation (91 %) in a neutral environment. Furthermore, 4 % Sm/Cs doped-MnO2 revealed an inhibitory zone of 2.85 mm against Escherichia coli (E. coli). Additionally, an analysis of molecular docking revealed a binding interface with NRs and the functional domains of certain cellular proteins. Results indicated that Cs-doped MnO2 and Cs/Sm-doped MnO2 NRs are the most potent DNA gyrase and FabB enzyme inhibitors.

Original languageEnglish
Article number172760
JournalJournal of Alloys and Compounds
Volume973
DOIs
StatePublished - 5 Feb 2024

Bibliographical note

Publisher Copyright:
© 2023 Elsevier B.V.

Keywords

  • Bactericidal
  • Catalyst
  • Molecular docking
  • Samarium/carbon

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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