Efficient catalytic and antimicrobial activity of polyvinylpyrrolidone-capped silver oxide with molecular docking analysis

Muhammad Ikram; Tahira Shujah; Ali Haider; Anum Shahzadi; Mudassir Hassan; Anwar Ul-Hamid; Hameed Ullah; Mouna Jeridi

doi:10.1016/j.jics.2025.101643

Efficient catalytic and antimicrobial activity of polyvinylpyrrolidone-capped silver oxide with molecular docking analysis

Muhammad Ikram^*
, Tahira Shujah
, Ali Haider^*
, Anum Shahzadi
, Mudassir Hassan
, Anwar Ul-Hamid^*
, Hameed Ullah
, Mouna Jeridi

^*Corresponding author for this work

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Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

In this study, polyvinylpyrrolidone (PVP)-capped silver oxide (AgO) nanostructures were synthesized with co-precipitation method. The presence of silver nanoparticles in AgO makes them unstable because of high surface energy and tends to agglomerate. This research aims to synthesize less toxic, cost-effective AgO nanoparticles and modify the surface properties with polymer doping. Monoclinic structure of AgO was confirmed through XRD analysis and no structure change was observed with PVP. With dopant, bandgap energy (Eg) was decreased from 3.04 to 2.95 eV. PVP-modified AgO nanostructure showed maximum degradation of RhB dye in neutral media with an efficacy of 81.44 % and significant antimicrobial zones (7.45 ± 0.04–9.75 ± 0.02) against S. aureus in maximum concentrations. Molecular docking validated the inhibitory impact of PVP-AgO articulating their bactericide influence for DNA gyrase and tyrosyl-tRNA synthetase in S. aureus.

Original language	English
Article number	101643
Journal	Journal of the Indian Chemical Society
Volume	102
Issue number	4
DOIs	https://doi.org/10.1016/j.jics.2025.101643
State	Published - Apr 2025

Bibliographical note

Publisher Copyright:
© 2025 Indian Chemical Society

Keywords

Antimicrobial
Capping agent
Catalysis
Silver oxide

ASJC Scopus subject areas

Drug Discovery
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry
Electrochemistry

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10.1016/j.jics.2025.101643

Cite this

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title = "Efficient catalytic and antimicrobial activity of polyvinylpyrrolidone-capped silver oxide with molecular docking analysis",

abstract = "In this study, polyvinylpyrrolidone (PVP)-capped silver oxide (AgO) nanostructures were synthesized with co-precipitation method. The presence of silver nanoparticles in AgO makes them unstable because of high surface energy and tends to agglomerate. This research aims to synthesize less toxic, cost-effective AgO nanoparticles and modify the surface properties with polymer doping. Monoclinic structure of AgO was confirmed through XRD analysis and no structure change was observed with PVP. With dopant, bandgap energy (Eg) was decreased from 3.04 to 2.95 eV. PVP-modified AgO nanostructure showed maximum degradation of RhB dye in neutral media with an efficacy of 81.44 \% and significant antimicrobial zones (7.45 ± 0.04–9.75 ± 0.02) against S. aureus in maximum concentrations. Molecular docking validated the inhibitory impact of PVP-AgO articulating their bactericide influence for DNA gyrase and tyrosyl-tRNA synthetase in S. aureus.",

keywords = "Antimicrobial, Capping agent, Catalysis, Silver oxide",

author = "Muhammad Ikram and Tahira Shujah and Ali Haider and Anum Shahzadi and Mudassir Hassan and Anwar Ul-Hamid and Hameed Ullah and Mouna Jeridi",

note = "Publisher Copyright: {\textcopyright} 2025 Indian Chemical Society",

year = "2025",

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doi = "10.1016/j.jics.2025.101643",

language = "English",

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T1 - Efficient catalytic and antimicrobial activity of polyvinylpyrrolidone-capped silver oxide with molecular docking analysis

AU - Ikram, Muhammad

AU - Shujah, Tahira

AU - Haider, Ali

AU - Shahzadi, Anum

AU - Hassan, Mudassir

AU - Ul-Hamid, Anwar

AU - Ullah, Hameed

AU - Jeridi, Mouna

PY - 2025/4

Y1 - 2025/4

N2 - In this study, polyvinylpyrrolidone (PVP)-capped silver oxide (AgO) nanostructures were synthesized with co-precipitation method. The presence of silver nanoparticles in AgO makes them unstable because of high surface energy and tends to agglomerate. This research aims to synthesize less toxic, cost-effective AgO nanoparticles and modify the surface properties with polymer doping. Monoclinic structure of AgO was confirmed through XRD analysis and no structure change was observed with PVP. With dopant, bandgap energy (Eg) was decreased from 3.04 to 2.95 eV. PVP-modified AgO nanostructure showed maximum degradation of RhB dye in neutral media with an efficacy of 81.44 % and significant antimicrobial zones (7.45 ± 0.04–9.75 ± 0.02) against S. aureus in maximum concentrations. Molecular docking validated the inhibitory impact of PVP-AgO articulating their bactericide influence for DNA gyrase and tyrosyl-tRNA synthetase in S. aureus.

AB - In this study, polyvinylpyrrolidone (PVP)-capped silver oxide (AgO) nanostructures were synthesized with co-precipitation method. The presence of silver nanoparticles in AgO makes them unstable because of high surface energy and tends to agglomerate. This research aims to synthesize less toxic, cost-effective AgO nanoparticles and modify the surface properties with polymer doping. Monoclinic structure of AgO was confirmed through XRD analysis and no structure change was observed with PVP. With dopant, bandgap energy (Eg) was decreased from 3.04 to 2.95 eV. PVP-modified AgO nanostructure showed maximum degradation of RhB dye in neutral media with an efficacy of 81.44 % and significant antimicrobial zones (7.45 ± 0.04–9.75 ± 0.02) against S. aureus in maximum concentrations. Molecular docking validated the inhibitory impact of PVP-AgO articulating their bactericide influence for DNA gyrase and tyrosyl-tRNA synthetase in S. aureus.

KW - Antimicrobial

KW - Capping agent

KW - Catalysis

KW - Silver oxide

UR - https://www.scopus.com/pages/publications/85218642787

U2 - 10.1016/j.jics.2025.101643

DO - 10.1016/j.jics.2025.101643

M3 - Article

AN - SCOPUS:85218642787

SN - 0019-4522

VL - 102

JO - Journal of the Indian Chemical Society

JF - Journal of the Indian Chemical Society

IS - 4

M1 - 101643

ER -

Efficient catalytic and antimicrobial activity of polyvinylpyrrolidone-capped silver oxide with molecular docking analysis

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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