Molecular docking and metagenomics assisted mitigation of microplastic pollution

Research output: Contribution to journalReview articleResearchpeer review

Authors

  • Dinesh Parida
  • Konica Katare
  • Atmaadeep Ganguly
  • Disha Chakraborty
  • Oisi Konar
  • Regina Nogueira
  • Kiran Bala

External Research Organisations

  • Indian Institute of Technology Indore (IITI)
  • University of Calcutta
  • West Bengal State University (WBSU)
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Details

Original languageEnglish
Article number141271
Number of pages17
JournalCHEMOSPHERE
Volume351
Early online date21 Jan 2024
Publication statusPublished - Mar 2024

Abstract

Microplastics, tiny, flimsy, and direct progenitors of principal and subsidiary plastics, cause environmental degradation in aquatic and terrestrial entities. Contamination concerns include irrevocable impacts, potential cytotoxicity, and negative health effects on mortals. The detection, recovery, and degradation strategies of these pollutants in various biota and ecosystems, as well as their impact on plants, animals, and humans, have been a topic of significant interest. But the natural environment is infested with several types of plastics, all having different chemical makeup, structure, shape, and origin. Plastic trash acts as a substrate for microbial growth, creating biofilms on the plastisphere surface. This colonizing microbial diversity can be glimpsed with meta-genomics, a culture-independent approach. Owing to its comprehensive description of microbial communities, genealogical evidence on unconventional biocatalysts or enzymes, genomic correlations, evolutionary profile, and function, it is being touted as one of the promising tools in identifying novel enzymes for the degradation of polymers. Additionally, computational tools such as molecular docking can predict the binding of these novel enzymes to the polymer substrate, which can be validated through in vitro conditions for its environmentally feasible applications. This review mainly deals with the exploration of metagenomics along with computational tools to provide a clearer perspective into the microbial potential in the biodegradation of microplastics. The computational tools due to their polymathic nature will be quintessential in identifying the enzyme structure, binding affinities of the prospective enzymes to the substrates, and foretelling of degradation pathways involved which can be quite instrumental in the furtherance of the plastic degradation studies.

Keywords

    Biodegradation, Enzymatic degradation, Metagenomics, Microplastics, Molecular docking, Plastisphere

ASJC Scopus subject areas

Sustainable Development Goals

Cite this

Molecular docking and metagenomics assisted mitigation of microplastic pollution. / Parida, Dinesh; Katare, Konica; Ganguly, Atmaadeep et al.
In: CHEMOSPHERE, Vol. 351, 141271, 03.2024.

Research output: Contribution to journalReview articleResearchpeer review

Parida, D., Katare, K., Ganguly, A., Chakraborty, D., Konar, O., Nogueira, R., & Bala, K. (2024). Molecular docking and metagenomics assisted mitigation of microplastic pollution. CHEMOSPHERE, 351, Article 141271. https://doi.org/10.1016/j.chemosphere.2024.141271
Parida D, Katare K, Ganguly A, Chakraborty D, Konar O, Nogueira R et al. Molecular docking and metagenomics assisted mitigation of microplastic pollution. CHEMOSPHERE. 2024 Mar;351:141271. Epub 2024 Jan 21. doi: 10.1016/j.chemosphere.2024.141271
Parida, Dinesh ; Katare, Konica ; Ganguly, Atmaadeep et al. / Molecular docking and metagenomics assisted mitigation of microplastic pollution. In: CHEMOSPHERE. 2024 ; Vol. 351.
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abstract = "Microplastics, tiny, flimsy, and direct progenitors of principal and subsidiary plastics, cause environmental degradation in aquatic and terrestrial entities. Contamination concerns include irrevocable impacts, potential cytotoxicity, and negative health effects on mortals. The detection, recovery, and degradation strategies of these pollutants in various biota and ecosystems, as well as their impact on plants, animals, and humans, have been a topic of significant interest. But the natural environment is infested with several types of plastics, all having different chemical makeup, structure, shape, and origin. Plastic trash acts as a substrate for microbial growth, creating biofilms on the plastisphere surface. This colonizing microbial diversity can be glimpsed with meta-genomics, a culture-independent approach. Owing to its comprehensive description of microbial communities, genealogical evidence on unconventional biocatalysts or enzymes, genomic correlations, evolutionary profile, and function, it is being touted as one of the promising tools in identifying novel enzymes for the degradation of polymers. Additionally, computational tools such as molecular docking can predict the binding of these novel enzymes to the polymer substrate, which can be validated through in vitro conditions for its environmentally feasible applications. This review mainly deals with the exploration of metagenomics along with computational tools to provide a clearer perspective into the microbial potential in the biodegradation of microplastics. The computational tools due to their polymathic nature will be quintessential in identifying the enzyme structure, binding affinities of the prospective enzymes to the substrates, and foretelling of degradation pathways involved which can be quite instrumental in the furtherance of the plastic degradation studies.",
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AU - Parida, Dinesh

AU - Katare, Konica

AU - Ganguly, Atmaadeep

AU - Chakraborty, Disha

AU - Konar, Oisi

AU - Nogueira, Regina

AU - Bala, Kiran

N1 - Funding Information: The authors are thankful to DAAD for the LUH-IITI mobility grant (A new passage to India) and IIT Indore for providing the necessary support. The authors acknowledge the University Grant Commission (UGC) India for fellowship support to Mr. Dinesh Parida. The authors are thankful to the Indian Institute of Technology (IIT) Indore for providing the necessary support.

PY - 2024/3

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N2 - Microplastics, tiny, flimsy, and direct progenitors of principal and subsidiary plastics, cause environmental degradation in aquatic and terrestrial entities. Contamination concerns include irrevocable impacts, potential cytotoxicity, and negative health effects on mortals. The detection, recovery, and degradation strategies of these pollutants in various biota and ecosystems, as well as their impact on plants, animals, and humans, have been a topic of significant interest. But the natural environment is infested with several types of plastics, all having different chemical makeup, structure, shape, and origin. Plastic trash acts as a substrate for microbial growth, creating biofilms on the plastisphere surface. This colonizing microbial diversity can be glimpsed with meta-genomics, a culture-independent approach. Owing to its comprehensive description of microbial communities, genealogical evidence on unconventional biocatalysts or enzymes, genomic correlations, evolutionary profile, and function, it is being touted as one of the promising tools in identifying novel enzymes for the degradation of polymers. Additionally, computational tools such as molecular docking can predict the binding of these novel enzymes to the polymer substrate, which can be validated through in vitro conditions for its environmentally feasible applications. This review mainly deals with the exploration of metagenomics along with computational tools to provide a clearer perspective into the microbial potential in the biodegradation of microplastics. The computational tools due to their polymathic nature will be quintessential in identifying the enzyme structure, binding affinities of the prospective enzymes to the substrates, and foretelling of degradation pathways involved which can be quite instrumental in the furtherance of the plastic degradation studies.

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JO - CHEMOSPHERE

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