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Exploring catalytic efficacy and anti-bacterial performance with molecular docking analysis of g-C3N4-grafted-Ag doped SnO2 QDs

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Abstract

The current work demonstrates the controlled synthesis of graphitic carbon nitride grafted silver (g-C3N4-g-Ag) doped tin oxide (SnO2) quantum dots (QDs) using the co-precipitation method. This research aimed to decrease the charge recombination rate of SnO2 and enhance their multifunctional effectiveness as catalysts and antibacterial agents with molecular docking analysis. The doping of g-C3N4-g-Ag increased the charge separation efficacy and number of active sites, resulting in the enhancement of catalytic and antibacterial activities. 6 mL of g-C3N4-g-Ag doped SnO2 QDs indicated remarkable dye removal activity of over 97.7%, which signifies its potential application in various environmental settings. Furthermore, the doped QDs demonstrated the 4.05 ± 0.08 mm inhibition area contrary to multiple drug resistant (MDR) Staphylococcus aureus (S. aureus). The inhibitory effect of g-C3N4-g-Ag doped SnO2 QDs on DNA gyraseS. aureus and tyrosyl-tRNA synthetaseS. aureus was elucidated using molecular docking analysis, supporting their bactericidal activity.

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Funding

Authors are thankful to higher education commission, Pakistan through NRPU Project 20–17615 (Muhammad Ikram).

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Authors and Affiliations

  1. Solar Cell Applications Research Lab, Department of Physics, Government College University Lahore, Lahore, Punjab, 54000, Pakistan

    Muhammad Tayyab Ameen, Atif Shahbaz & Muhammad Ikram

  2. Department of Clinical Medicine, Faculty of Veterinary and Animal Sciences, Muhammad Nawaz Shareef, University of Agriculture, Multan, Punjab, 66000, Pakistan

    Ali Haider

  3. School of Pharmacy, University of Management and Technology, Lahore, 54770, Pakistan

    Iram Shahzadi

  4. Core Research Facilities, King Fahd University of Petroleum and Minerals, 31261, Dhahran, Saudi Arabia

    Anwar Ul-Hamid

  5. Laboratory of Nanomaterials for Renewable Energy and Artificial Photosynthesis (NanoREAP), Institute of Physics, UFRGS, Porto Alegre, Rio Grande do Sul, 91509-900, Brazil

    Hameed Ullah & Sherdil Khan

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Contributions

MTA- Writing—Original Draft Preparation, design of the work. AH-Data Curation, Methodology. IS-Review and Editing, Software. AS- Development the fundamental concept, Supervision. AUH- Resources, Data Curation. HU- sample analysis and interpretation of data. SK- sample analysis and interpretation of data, Writing—Review and Editing. MI (Corresponding author)- Analysis, Resources, Funding Acquisition.

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Correspondence to Muhammad Ikram.

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Ameen, M.T., Haider, A., Shahzadi, I. et al. Exploring catalytic efficacy and anti-bacterial performance with molecular docking analysis of g-C3N4-grafted-Ag doped SnO2 QDs. Res Chem Intermed 50, 1661–1678 (2024). https://doi.org/10.1007/s11164-024-05241-5

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