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Molecular Docking and In Vitro Inhibitory Effect of Polyaniline (PANI)/ZnO Nanocomposite on the Growth of Struvite Crystal: a Step Towards Control of UTI

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Abstract

Nowadays, nanotechnology is gaining interest on diagnostics for several chronic diseases. In the present study, the chemical oxidative method of aniline in acid medium with ammonium peroxydisulfate (APS) as an oxidant was employed to develop polyaniline (PANI)-based nanocomposite overflowing/doping on ZnO. The chemical properties, morphology, and structure of the polymer and nanocomposite were investigated using FTIR, XRD, and SEM. The characteristic FTIR peaks of PANI were reported to shift to a higher or lower wave number in PANI-doped ZnO composites due to the formation of H-bonding. Different amounts of ZnO nanoparticles were used to test this influence on the strength of the generated materials. The ability of the PANI-doped ZnO nanocomposite to inhibit struvite crystal growth was determined. The size of struvite crystals was condensed from 2.9 to 1.4 cm at a concentration of 5% PANI-doped ZnO nanoparticles, and the inhibition efficiency of synthesized PANI-doped ZnO against kidney stone (struvite) was confirmed by molecular docking analyzes. The in vitro as well as in silico study revealed the potential applications of polyaniline/ZnO nanocomposite in kidney diseases.

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Acknowledgements

The authors are highly thankful to their respective universities for providing research facilities. M.H.A thanks Taif University research supporting project TURSP2020/91 Taif University Saudi Arabia.

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Authors and Affiliations

  1. Department of Science and Humanities, Ariyalur Engineering College, Ariyalur-621707, India

    D. Balakrishnan

  2. Post-Graduate and Research Department of Chemistry, Periyar EVR College Affiliated to Bharathidasan University, Trichirappalli, India

    C. Pragathiswaran & K. Thanikasalam

  3. Department of Applied Biology, University of Science and Technology Meghalaya, Ri-Bhoi-793101, India

    Yugal Kishore Mohanta

  4. Center for Transdisciplinary Research (CFTR), AMR and Nanotherapeutics Laboratory, Department of Pharmacology, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences (SIMATS), Chennai-600077, India

    Muthupandian Saravanan

  5. Department of Chemistry, College of Science, Taif University, P. O. Box 11099, Al-Haweiah, Taif 21944, Saudi Arabia

    Magda H. Abdellattif

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  1. D. Balakrishnan
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  2. C. Pragathiswaran
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  3. K. Thanikasalam
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  4. Yugal Kishore Mohanta
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  5. Muthupandian Saravanan
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  6. Magda H. Abdellattif
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Contributions

All authors contributed to the study conception and design. Material preparation, data collection, and analysis were performed by D. Balakrishnan, C. Pragathiswaran, Yugal Kishore Mohanta and Muthupandian Saravanan. The first draft of the manuscript was written by D. Balakrishnan, K. Thanikasalam, Magda H. Abdellattif and Muthupandian Saravanan, and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.

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Correspondence to C. Pragathiswaran or Muthupandian Saravanan.

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Balakrishnan, D., Pragathiswaran, C., Thanikasalam, K. et al. Molecular Docking and In Vitro Inhibitory Effect of Polyaniline (PANI)/ZnO Nanocomposite on the Growth of Struvite Crystal: a Step Towards Control of UTI. Appl Biochem Biotechnol 194, 4462–4476 (2022). https://doi.org/10.1007/s12010-022-03911-x

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