<i>In silico</i>
            approach for identification of polyethylene terephthalate hydrolase (PETase)-like enzymes

Saini, Poorvi; Grewall, Ananya; Hooda, Sunila

doi:10.1080/10889868.2022.2054931

Cited by 5 publications

(2 citation statements)

References 70 publications

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“…The enzymatic activity of four enzymes was experimentally confirmed. In another investigation, Saini et al (2022) [41] searched for polyester hydrolases in the BLASTP database, using the pentapeptide as a probe, with Trp in X1 and a Cys near the active site. They selected five PETases whose activity over MHET was confirmed by molecular docking.…”

Section: Protein Identitymentioning

confidence: 99%

Selection of Putative Polyester Hydrolases from the Metagenome of Los Humeros Geothermal Field by Means of In Silico Probes

Solis-Palacios,

Espinosa-Luna,

Peña-Montes

et al. 2024

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Hydrolases are the most popular enzymes, and among the most valuable in biotechnological applications. Some hydrolases, such as lipases, esterases, proteases, cellulases and amylases, are used in the food industry and the production of biopharmaceuticals, biofuels, biopolymers and detergents. Of special interest are those obtained from thermophilic microorganisms. Although there is great microbial diversity in extreme environments, the investigations aimed at detecting and isolating enzymes with potential for polyester degradation such as polyethylene terephthalate (PET) are limited. In this work, we explored the metagenomic library of an oil-enriched soil sample from the “Los Humeros” geothermal field by means of in silico probes in search for enzymes potentially able to degrade polyesters. Using conserved motifs and activity-relevant sites of reported polyester hydrolases, we designed probes that allowed us to identify 6 potential polyester hydrolases in the metagenome. Three-dimensional structure prediction revealed a canonical α/β fold and a cap covering the active site of the enzymes. The catalytic triads were composed of Ser, His and Asp. Structural comparison, substrate binding site analysis and molecular docking suggested their potential as polyester hydrolases, particularly cutinases and PETases. An enzyme, REC98271, was cloned, expressed and characterized, showing thermophilic properties and preference for short-chain substrates. These findings contribute to our understanding of enzyme diversity in “Los Humeros” metagenome and their potential applications in biodegradation and recycling processes.

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Section: Protein Identitymentioning

confidence: 99%

Selection of Putative Polyester Hydrolases from the Metagenome of Los Humeros Geothermal Field by Means of In Silico Probes

Solis-Palacios,

Espinosa-Luna,

Peña-Montes

et al. 2024

Catalysts

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show abstract

“…Joo et al provide molecular insight into PET degradation using a combination of structure, sequence, and site-directed mutagenesis analysis, and Saini at el. identified an enzyme similar to petase using molecular docking and simulations [ 38 ]. Contemporarily, sequence based analysis is helping in navigating large sequence datasets.…”

Section: Introductionmentioning

confidence: 99%

Computational Exploration of Bio-Degradation Patterns of Various Plastic Types

et al. 2023

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Plastic materials are recalcitrant in the open environment, surviving for longer without complete remediation. The current disposal methods of used plastic material are inefficient; consequently, plastic wastes are infiltrating the natural resources of the biosphere. The mixed composition of urban domestic waste with different plastic types makes them unfavorable for recycling; however, natural assimilation in situ is still an option to explore. In this research work, we have utilized previously published reports on the biodegradation of various plastics types and analyzed the pattern of microbial degradation. Our results demonstrate that the biodegradation of plastic material follows the chemical classification of plastic types based on their main molecular backbone. The clustering analysis of various plastic types based on their biodegradation reports has grouped them into two broad categories of C-C (non-hydrolyzable) and C-X (hydrolyzable). The C-C and C-X groups show a statistically significant difference in their biodegradation pattern at the genus level. The Bacilli class of bacteria is found to be reported more often in the C-C category, which is challenging to degrade compared to C-X. Genus enrichment analysis suggests that Pseudomonas and Bacillus from bacteria and Aspergillus and Penicillium from fungi are potential genera for the bioremediation of mixed plastic waste. The lack of uniformity in reporting the results of microbial degradation of plastic also needs to be addressed to enable productive growth in the field. Overall, the result points towards the feasibility of a microbial-based biodegradation solution for mixed plastic waste.

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Structural insight and engineering of a plastic degrading hydrolase Ple629

Zhao

et al. 2022

Biochemical and Biophysical Research Communications

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In silico approach for identification of polyethylene terephthalate hydrolase (PETase)-like enzymes

Cited by 5 publications

References 70 publications

Selection of Putative Polyester Hydrolases from the Metagenome of Los Humeros Geothermal Field by Means of In Silico Probes

Selection of Putative Polyester Hydrolases from the Metagenome of Los Humeros Geothermal Field by Means of In Silico Probes

Computational Exploration of Bio-Degradation Patterns of Various Plastic Types

Structural insight and engineering of a plastic degrading hydrolase Ple629

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