Molecular docking of lectins as a biosorbent for removal of textile dyes from wastewater media

Afaf Amara-Rekkab

doi:10.53730/ijhs.v7n3.14657

Authors

Afaf Amara-Rekkab
amarafaf@yahoo.fr
University of Tlemcen, Algeria & University center of Maghnia, Algeria

Keywords:

binding affinity, environment, health, lectins, molecular docking

Abstract

Molecular docking of lectins as biosorbents for textile dye removal from wastewater media is a topic of great significance in the fields of environmental and health science. Textile dyes are highly toxic and persistent, posing a serious threat to aquatic ecosystems and human health. Therefore, finding an effective and sustainable method for their removal is crucial. Lectins, which are proteins found in plants and animals, have been extensively studied for their ability to bind with specific sugar molecules. This unique property makes them potential candidates for biosorption applications. Molecular docking techniques allow scientists to study the interaction between lectins and textile dyes at the molecular level, providing valuable insights into their binding affinity and efficiency. By understanding the molecular interactions between lectins and textile dyes, researchers can design more efficient biosorbents that can selectively remove these harmful compounds from wastewater media. In addition, molecular docking studies can help optimize the conditions under which this process occurs, such as pH levels or temperature.Three textile dyes were docked on the lectins of Cupressus sempervirensto evaluate the binding affinity of these drugs.

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References

Ahmad, A., Mohd-Setapar, S. H., Chuong, C. S., Khatoon, A., Wani, W. A., Kumar, R., & Rafatullah, M. (2015). Recent advances in new generation dye removal technologies: novel search for approaches to reprocess wastewater. RSC advances, 5(39), 30801-30818.

Altıntıg, E., Altundag, H., Tuzen, M., & Sarı, A. (2017). Effective removal of methylene blue from aqueous solutions using magnetic loaded activated carbon as novel adsorbent. Chemical Engineering Research and Design, 122, 151-163. https://doi.org/10.1016/j.cherd.2017.03.035

Bensegueni, R., Guergouri, M., Bensouici, C., & Bencharif, M. (2019). Synthesis, antioxidant, and anti-tyrosinase activity of some aromatic oximes: An experimental and theoretical study. Journal of Reports in Pharmaceutical Sciences, 8(2), 195-203.

Brillas, E., Mur, E., Sauleda, R., Sanchez, L., Peral, J., Domènech, X., & Casado, J. (1998). Aniline mineralization by AOP's: anodic oxidation, photocatalysis, electro-Fenton and photoelectro-Fenton processes. Applied Catalysis B: Environmental, 16(1), 31-42. https://doi.org/10.1016/S0926-3373(97)00059-3

Chandarana, H., Kumar, P. S., Seenuvasan, M., & Kumar, M. A. (2021). Kinetics, equilibrium and thermodynamic investigations of methylene blue dye removal using Casuarina equisetifolia pines. Chemosphere, 285, 131480. https://doi.org/10.1016/j.chemosphere.2021.131480

Dahri, M. K., Kooh, M. R. R., & Lim, L. B. (2015). Application of Casuarina equisetifolia needle for the removal of methylene blue and malachite green dyes from aqueous solution. Alexandria Engineering Journal, 54(4), 1253-1263. https://doi.org/10.1016/j.aej.2015.07.005

de Jong, L., Pech, N., de Aragão Umbuzeiro, G., & Moreau, X. (2016). Multi-scale biomarker evaluation of the toxicity of a commercial azo dye (Disperse Red 1) in an animal model, the freshwater cnidarian Hydra attenuata. Water research, 96, 62-73. https://doi.org/10.1016/j.watres.2016.03.043

Dias, E. M., & Petit, C. (2015). Towards the use of metal–organic frameworks for water reuse: a review of the recent advances in the field of organic pollutants removal and degradation and the next steps in the field. Journal of Materials Chemistry A, 3(45), 22484-22506.

Djebbari, N. E., Amara, A., Didi, A., & Didi, M. A. (2022). Factorial Design Optimization Of Uranium (VI) Cloud Point Extraction With Triton X-100/TWEEN-40/D2EHPA/BMIMMESO 4. Scientific Study & Research. Chemistry & Chemical Engineering, Biotechnology, Food Industry, 23(4), 333-343.

Druzian, S. P., Zanatta, N. P., Borchardt, R. K., Côrtes, L. N., Streit, A. F., Severo, E. C., ... & Dotto, G. L. (2021). Chitin-psyllium based aerogel for the efficient removal of crystal violet from aqueous solutions. International Journal of Biological Macromolecules, 179, 366-376. https://doi.org/10.1016/j.ijbiomac.2021.02.179

El-Shwiniy, W. H., El-Desoky, S. I., Alrabie, A., & Abd El-wahaab, B. (2022). Spectrophotometric determination of Zr (IV), Hg (II) and U (VI) in solution with their analytical applications: Structural characterization and molecular docking of the solid complexes. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 279, 121400. https://doi.org/10.1016/j.saa.2022.121400

Fabbricino, M., & Pontoni, L. (2016). Use of non-treated shrimp-shells for textile dye removal from wastewater. Journal of Environmental Chemical Engineering, 4(4), 4100-4106. https://doi.org/10.1016/j.jece.2016.08.028

Ferreira, H. S., Bezerra, M. D. A., & Costa Ferreira, S. L. (2006). A pre-concentration procedure using cloud point extraction for the determination of uranium in natural water. Microchimica Acta, 154, 163-167.

Flórez-Castillo, J. M., Rondón-Villareal, P., Ropero-Vega, J. L., Mendoza-Espinel, S. Y., Moreno-Amézquita, J. A., Méndez-Jaimes, K. D., ... & Gómez-Duarte, O. G. (2020). Ib-M6 Antimicrobial peptide: Antibacterial activity against clinical isolates of Escherichia coli and molecular docking. Antibiotics, 9(2), 79.

Gadipelly, C., Pérez-González, A., Yadav, G. D., Ortiz, I., Ibáñez, R., Rathod, V. K., & Marathe, K. V. (2014). Pharmaceutical industry wastewater: review of the technologies for water treatment and reuse. Industrial & Engineering Chemistry Research, 53(29), 11571-11592.

Gautam, D., & Hooda, S. (2020). Magnetic graphene oxide/chitin nanocomposites for efficient adsorption of methylene blue and crystal violet from aqueous solutions. Journal of Chemical & Engineering Data, 65(8), 4052-4062.

Geissen, V., Mol, H., Klumpp, E., Umlauf, G., Nadal, M., van der Ploeg, M., ... & Ritsema, C. J. (2015). Emerging pollutants in the environment: a challenge for water resource management. International soil and water conservation research, 3(1), 57-65.

Ghaedi, M., Hossainian, H., Montazerozohori, M., Shokrollahi, A., Shojaipour, F., Soylak, M. U. S. T. A. F. A., & Purkait, M. K. (2011). A novel acorn based adsorbent for the removal of brilliant green. Desalination, 281, 226-233. https://doi.org/10.1016/j.desal.2011.07.068

González, J. A., Villanueva, M. E., Piehl, L. L., & Copello, G. J. (2015). Development of a chitin/graphene oxide hybrid composite for the removal of pollutant dyes: adsorption and desorption study. Chemical engineering journal, 280, 41-48. https://doi.org/10.1016/j.cej.2015.05.112

Ibrahim, M. K., Taghour, M. S., Metwaly, A. M., Belal, A., Mehany, A. B. M., Elhendawy, M. A., ... & Eissa, I. H. (2018). Design, synthesis, molecular modeling and anti-proliferative evaluation of novel quinoxaline derivatives as potential DNA intercalators and topoisomerase II inhibitors. European journal of medicinal chemistry, 155, 117-134. https://doi.org/10.1016/j.ejmech.2018.06.004

Kausar, N., Murtaza, S., Nadeem Arshad, M., Munir, R., Saleem, R. S. Z., Rafique, H., Tawab, A. (2021). Synthesis, characterization, theoretical and molecular docking studies of mixed-ligand complexes of Cu(II), Ni(II), Co(II), Mn(II), Cr(III), UO2(II) and Cd(II). Journal of Molecular Structure, 1244, 130983.

Kazemi, J., & Javanbakht, V. (2020). Alginate beads impregnated with magnetic Chitosan@ Zeolite nanocomposite for cationic methylene blue dye removal from aqueous solution. International journal of biological macromolecules, 154, 1426-1437. https://doi.org/10.1016/j.ijbiomac.2019.11.024

Lee, J., Worrall, L. J., Vuckovic, M., Rosell, F. I., Gentile, F., Ton, A. T., ... & Strynadka, N. C. (2020). Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site. Nature communications, 11(1), 5877.

Liang, P., Li, J., & Yang, X. (2005). Cloud point extraction preconcentration of trace cadmium as 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone complex and determination by flame atomic absorption spectrometry. Microchimica Acta, 152, 47-51.

Małecki, P. H., Rypniewski, W., Szymański, M., Barciszewski, J., & Meyer, A. (2012). Binding of the plant hormone kinetin in the active site of Mistletoe Lectin I from Viscum album. Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics, 1824(2), 334-338. https://doi.org/10.1016/j.bbapap.2011.10.013

Metin, A. U., Çiftçi, H., & Alver, E. (2013). Efficient removal of acidic dye using low-cost biocomposite beads. Industrial & Engineering Chemistry Research, 52(31), 10569-10581.

Morris, G. M., Huey, R., Lindstrom, W., Sanner, M. F., Belew, R. K., Goodsell, D. S., & Olson, A. J. (2009). AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of computational chemistry, 30(16), 2785-2791.

Nandi, B. K., Goswami, A., & Purkait, M. K. (2009). Removal of cationic dyes from aqueous solutions by kaolin: kinetic and equilibrium studies. Applied Clay Science, 42(3-4), 583-590. https://doi.org/10.1016/j.clay.2008.03.015

Necib, Y., Bahi, A., Merouane, F., Bouadi, H., & Boulahrouf, K. (2015). Comparative study of a new lectin extracted from roots of plants: Cyperus rotundus, Pistacia lentiscus and Ruta graveolens. World journal of pharmaceutical research, 4(1), 1720-1733.

Tsuboy, M. S., Angeli, J. P. F., Mantovani, M. S., Knasmüller, S., Umbuzeiro, G. A., & Ribeiro, L. R. (2007). Genotoxic, mutagenic and cytotoxic effects of the commercial dye CI Disperse Blue 291 in the human hepatic cell line HepG2. Toxicology in vitro, 21(8), 1650-1655. https://doi.org/10.1016/j.tiv.2007.06.020

Yaseen, D. A., & Scholz, M. (2019). Textile dye wastewater characteristics and constituents of synthetic effluents: a critical review. International journal of environmental science and technology, 16, 1193-1226.