EXPLORING MICROPLASTIC DEGRADATION: INSIGHTS FROM ENZYMATIC STUDIES UTILIZING OMICS APPROACHES AND COMPUTATIONAL TOOLS

Lorrana Faria Fonseca; Manuela Leal da Silva

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Paper Title

EXPLORING MICROPLASTIC DEGRADATION: INSIGHTS FROM ENZYMATIC STUDIES UTILIZING OMICS APPROACHES AND COMPUTATIONAL TOOLS

Authors

Lorrana Faria Fonseca
Manuela Leal da Silva

Modality

Poster

Subject area

Systems Biology and Modeling

Publishing Date

21/11/2024

Country of Publishing

Brazil | Brasil

Language of Publishing

Inglês

Paper Page

https://www.even3.com.br/anais/xmeeting-2024/832618-exploring-microplastic-degradation--insights-from-enzymatic-studies-utilizing-omics-approaches-and-computational-

ISBN

978-65-272-0843-3

Keywords

Plastic waste, enzyme degradation, microplastics, metagenomic analysis, omics approaches

Summary

Plastic materials play a crucial role in contemporary society, spanning various applications. However, their extensive production and use inevitably result in a significant amount of post-consumer plastic waste. IRoughly 12 billion metric tons of plastic waste are projected to accumulate in landfills or the natural environment by 2050. Improper handling of this waste poses a significant environmental challenge. The debris, particularly microplastics, can cause adverse effects on various organisms, ultimately impacting humans as well.. Therefore, there's an urgent need to develop innovative technologies for the treatment and recycling of post-consumer plastics, with a focus on waste valorization and environmental protection. Ideonella sakaiensis PET hydrolase (PETase) shows specific stability and productivity in degradation of PET (Polyethylene Terephthalate). Studies exploring enzyme structure-function relationships and advanced modeling techniques are revolutionizing the field of plastics degradation. The utilization of computational approaches is proving advantageous in deciphering protein properties and functions, guiding protein engineering, and offering more economically feasible solutions. The objective is to identify enzymes similar to PETase in different metagenomic samples for biotechnological applications in microplastic degradation. Initially, information on Ideonella sakaiensis PETase [A0A0K8P6T7] was sourced from various databases (NCBI, PDB, STRING, and Proteins from WGS metagenomic projects (env_nr)). Subsequently, homologous enzymes were sought in metagenomic samples from MGnify, MetaCyc, and KEGG MGENES. Alignments were conducted using UGENE with the MUSCLE algorithm. Afterwards, 3D modeling was performed using MHOLline and Modeller, followed by analyses using Procheck, Molprobity, Prosa and PyMol. MetaCyc revealed 13 pathways covering metabolic and biochemical processes in different organisms. STRING identified proteins interacting with PETase, including proteins of unknown function, in particular enzymes associated with degradation in Ideonella sakaiensis. BLAST search with the "nr" database yielded 85 enzymes, 6% of which were characterized, while 94% had unknown function. MGnify provided 2399 sequences, out of which 901 were full-length. Among the 43 sequences selected with at least 50% identity, 3 showed 100% coverage and identity, according to their scientific names. MHOLline generated 3D structures for all 80 proteins with unknown function from BLAST, with 30 enzymes having RMSD less than 8Å. Modeller constructed 3D models for the 43 MGnify sequences. Procheck revealed favored regions with amino acid coverage above 75% and less than 4% in disallowed regions. Molprobity values exceeded 80% in favored regions and 90% in disallowed regions. ProSA Z-scores ranged from -4 to -7. A distance matrix comparing BLAST identified enzymes with those from MGnify showed similarities ranging from 12% to 91%, indicating a diverse set of enzymes with significant potential. Next steps include docking analysis for a deeper understanding of microplastic degradation mechanisms and potential target identification.

Title of the Event: 20º Congresso Brasileiro de Bioinformática: X-Meeting 2024
City of the Event: Salvador
Title of the Proceedings of the event: X-Meeting presentations
Name of the Publisher: Even3
Means of Dissemination: Meio Digital

How to cite

FONSECA, Lorrana Faria; SILVA, Manuela Leal da. EXPLORING MICROPLASTIC DEGRADATION: INSIGHTS FROM ENZYMATIC STUDIES UTILIZING OMICS APPROACHES AND COMPUTATIONAL TOOLS.. In: X-Meeting presentations. Anais...Salvador(BA) Hotel Deville Prime, 2024. Available in: https//www.even3.com.br/anais/xmeeting-2024/832618-EXPLORING-MICROPLASTIC-DEGRADATION--INSIGHTS-FROM-ENZYMATIC-STUDIES-UTILIZING-OMICS-APPROACHES-AND-COMPUTATIONAL-. Access in: 27/04/2025