MoS2/cellulose-doped ZnO nanorods for catalytic, antibacterial and molecular docking studies

Muhammad Ikram; Muhammad Imran; Shoukat Hayat; Anum Shahzadi; Ali Haider; Sadia Naz; Anwar Ul-Hamid; Walid Nabgan; Iqra Fazal; Salamat Ali

doi:10.1039/d1na00648g

MoS₂/cellulose-doped ZnO nanorods for catalytic, antibacterial and molecular docking studies

Muhammad Ikram^*, Muhammad Imran, Shoukat Hayat, Anum Shahzadi, Ali Haider, Sadia Naz, Anwar Ul-Hamid, Walid Nabgan, Iqra Fazal, Salamat Ali

^*Corresponding author for this work

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19 Scopus citations

Abstract

Cellulose nanocrystals (CNCs) and molybdenum disulphide (MoS₂) incorporated into ZnO nanorods (NRs) were synthesizedviaa chemical precipitation route at room temperature. All concerned samples were characterized to examine their optical properties, elemental composition, phase formation, surface morphology and functional group presence. The aim of this research was to enhance the catalytic properties of ZnO by co-doping with various concentrations of CNCs and MoS₂NRs. It was renowned that doped ZnO NRs showed superior catalytic activity compared to bare ZnO NRs. Statistically significant (p< 0.05) inhibition zones for samples were recorded forE. coliandS. aureusat low and high concentrations, respectively. Thein vitrobactericidal potential of ZnO-CNC and ZnO-CNC-MoS₂nanocomposites was further confirmed throughin silicomolecular docking predictions against the DHFR and DHPS enzymes ofE. coliandS. aureus. Molecular docking studies suggested the inhibition of these enzyme targets by CNC nanocomposites as a possible mechanism governing their bactericidal activity.

Original language	English
Pages (from-to)	211-225
Number of pages	15
Journal	Nanoscale Advances
Volume	4
Issue number	1
DOIs	https://doi.org/10.1039/d1na00648g
State	Published - 7 Jan 2022

Bibliographical note

Publisher Copyright:
© The Royal Society of Chemistry 2021.

ASJC Scopus subject areas

Bioengineering
Atomic and Molecular Physics, and Optics
General Chemistry
General Materials Science
General Engineering

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10.1039/d1na00648g

Cite this

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title = "MoS2/cellulose-doped ZnO nanorods for catalytic, antibacterial and molecular docking studies",

abstract = "Cellulose nanocrystals (CNCs) and molybdenum disulphide (MoS2) incorporated into ZnO nanorods (NRs) were synthesizedviaa chemical precipitation route at room temperature. All concerned samples were characterized to examine their optical properties, elemental composition, phase formation, surface morphology and functional group presence. The aim of this research was to enhance the catalytic properties of ZnO by co-doping with various concentrations of CNCs and MoS2NRs. It was renowned that doped ZnO NRs showed superior catalytic activity compared to bare ZnO NRs. Statistically significant (p< 0.05) inhibition zones for samples were recorded forE. coliandS. aureusat low and high concentrations, respectively. Thein vitrobactericidal potential of ZnO-CNC and ZnO-CNC-MoS2nanocomposites was further confirmed throughin silicomolecular docking predictions against the DHFR and DHPS enzymes ofE. coliandS. aureus. Molecular docking studies suggested the inhibition of these enzyme targets by CNC nanocomposites as a possible mechanism governing their bactericidal activity.",

author = "Muhammad Ikram and Muhammad Imran and Shoukat Hayat and Anum Shahzadi and Ali Haider and Sadia Naz and Anwar Ul-Hamid and Walid Nabgan and Iqra Fazal and Salamat Ali",

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T1 - MoS2/cellulose-doped ZnO nanorods for catalytic, antibacterial and molecular docking studies

AU - Ikram, Muhammad

AU - Imran, Muhammad

AU - Hayat, Shoukat

AU - Shahzadi, Anum

AU - Haider, Ali

AU - Naz, Sadia

AU - Ul-Hamid, Anwar

AU - Nabgan, Walid

AU - Fazal, Iqra

AU - Ali, Salamat

PY - 2022/1/7

Y1 - 2022/1/7

N2 - Cellulose nanocrystals (CNCs) and molybdenum disulphide (MoS2) incorporated into ZnO nanorods (NRs) were synthesizedviaa chemical precipitation route at room temperature. All concerned samples were characterized to examine their optical properties, elemental composition, phase formation, surface morphology and functional group presence. The aim of this research was to enhance the catalytic properties of ZnO by co-doping with various concentrations of CNCs and MoS2NRs. It was renowned that doped ZnO NRs showed superior catalytic activity compared to bare ZnO NRs. Statistically significant (p< 0.05) inhibition zones for samples were recorded forE. coliandS. aureusat low and high concentrations, respectively. Thein vitrobactericidal potential of ZnO-CNC and ZnO-CNC-MoS2nanocomposites was further confirmed throughin silicomolecular docking predictions against the DHFR and DHPS enzymes ofE. coliandS. aureus. Molecular docking studies suggested the inhibition of these enzyme targets by CNC nanocomposites as a possible mechanism governing their bactericidal activity.

AB - Cellulose nanocrystals (CNCs) and molybdenum disulphide (MoS2) incorporated into ZnO nanorods (NRs) were synthesizedviaa chemical precipitation route at room temperature. All concerned samples were characterized to examine their optical properties, elemental composition, phase formation, surface morphology and functional group presence. The aim of this research was to enhance the catalytic properties of ZnO by co-doping with various concentrations of CNCs and MoS2NRs. It was renowned that doped ZnO NRs showed superior catalytic activity compared to bare ZnO NRs. Statistically significant (p< 0.05) inhibition zones for samples were recorded forE. coliandS. aureusat low and high concentrations, respectively. Thein vitrobactericidal potential of ZnO-CNC and ZnO-CNC-MoS2nanocomposites was further confirmed throughin silicomolecular docking predictions against the DHFR and DHPS enzymes ofE. coliandS. aureus. Molecular docking studies suggested the inhibition of these enzyme targets by CNC nanocomposites as a possible mechanism governing their bactericidal activity.

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