Novel Ag/cellulose-doped CeO2 quantum dots for efficient dye degradation and bactericidal activity with molecular docking study

M Ikram; S Hayat; M Imran; A Haider; S Naz; A Ul-Hamid; I Shahzadi; J Haider; A Shahzadi; W Nabgan; S Ali

doi:10.1016/j.carbpol.2021.118346

Novel Ag/cellulose-doped CeO₂ quantum dots for efficient dye degradation and bactericidal activity with molecular docking study

Carbohydr Polym. 2021 Oct 1:269:118346. doi: 10.1016/j.carbpol.2021.118346. Epub 2021 Jun 17.

Authors

M Ikram¹, S Hayat², M Imran³, A Haider⁴, S Naz⁵, A Ul-Hamid⁶, I Shahzadi⁷, J Haider⁵, A Shahzadi⁷, W Nabgan⁸, S Ali²

Affiliations

¹ Solar Cell Application Research Lab, Department of Physics, Government College University Lahore, Lahore 54000, Punjab, Pakistan. Electronic address: [email protected].
² Department of Physics, Riphah Institute of Computing and Applied Sciences (RICAS), Riphah International University, 14 Ali Road, Lahore, Pakistan.
³ State Key Laboratory of Chemical Resource Engineering, Beijing Advanced Innovation Centre for Soft Matter Science and Engineering, Beijing Engineering Centre for Hierarchical Catalysts, Beijing University of Chemical Technology, Beijing 100029, China.
⁴ Department of Clinical Medicine and Surgery, University of Veterinary and Animal Sciences, Lahore 54000, Punjab, Pakistan.
⁵ Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin 300308, China.
⁶ Core Research Facilities, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia. Electronic address: [email protected].
⁷ College of Pharmacy, University of the Punjab, 54000 Lahore, Pakistan.
⁸ School of Chemical and Energy Engineering, Faculty of Engineering, Universiti Teknologi Malaysia, 81310 Skudai, Johor, Malaysia. Electronic address: [email protected].

PMID: 34294353
DOI: 10.1016/j.carbpol.2021.118346

Abstract

In the present study, the novel Ag/cellulose nanocrystal (CNC)-doped CeO₂ quantum dots (QDs) with highly efficient catalytic performance were synthesized using one pot co-precipitation technique, which were then applied in the degradation of methylene blue and ciprofloxacin (MBCF) in wastewater. Catalytic activity against MBCF dye was significantly reduced (99.3%) for (4%) Ag dopant concentration in acidic medium. For Ag/CNC-doped CeO₂ vast inhibition domain of G-ve was significantly confirmed as (5.25-11.70 mm) and (7.15-13.60 mm), while medium- to high-concentration of CNC levels were calculated for G + ve (0.95 nm, 1.65 mm), respectively. Overall, (4%) Ag/CNC-doped CeO₂ revealed significant antimicrobial activity against G-ve relative to G + ve at both concentrations, respectively. Furthermore, in silico molecular docking studies were performed against selected enzyme targets dihydrofolate reductase (DHFR), dihydropteroate synthase (DHPS), and DNA gyrase belonging to folate and nucleic acid biosynthetic pathway, respectively to rationalize possible mechanism behind bactericidal potential of CNC-CeO₂ and Ag/CNC-CeO₂.

Keywords: Ag; Antimicrobial; Cellulose; HR-TEM; Molecular docking study; Quantum dots.

MeSH terms

Anti-Bacterial Agents / chemistry
Anti-Bacterial Agents / metabolism
Anti-Bacterial Agents / pharmacology*
Anti-Bacterial Agents / radiation effects
Bacterial Proteins / chemistry
Bacterial Proteins / metabolism
Catalysis / radiation effects
Cellulose / chemical synthesis
Cellulose / chemistry*
Cellulose / metabolism
Cellulose / radiation effects
Cerium / chemistry*
Cerium / metabolism
Cerium / radiation effects
Ciprofloxacin / chemistry
Coloring Agents / chemistry*
DNA Gyrase / chemistry
DNA Gyrase / metabolism
Dihydropteroate Synthase / chemistry
Dihydropteroate Synthase / metabolism
Escherichia coli / drug effects
Escherichia coli / enzymology
Light
Methylene Blue / chemistry
Microbial Sensitivity Tests
Molecular Docking Simulation
Protein Binding
Quantum Dots / chemistry*
Quantum Dots / metabolism
Quantum Dots / radiation effects
Silver / chemistry
Silver / metabolism
Silver / pharmacology*
Silver / radiation effects
Staphylococcus aureus / drug effects
Tetrahydrofolate Dehydrogenase / chemistry
Tetrahydrofolate Dehydrogenase / metabolism
Water Pollutants, Chemical / chemistry
Water Purification / methods

Substances

Anti-Bacterial Agents
Bacterial Proteins
Coloring Agents
Water Pollutants, Chemical
Cerium
Silver
Ciprofloxacin
ceric oxide
Cellulose
Tetrahydrofolate Dehydrogenase
Dihydropteroate Synthase
DNA Gyrase
Methylene Blue