The continuous exposure of chemical pesticides in agriculture, their contamination in soil and water pose serious threat to the environment. Current study used an approach to evaluate various pesticides like Hexaconazole, Mancozeb, Pretilachlor, Organophosphate and λ-cyhalothrin degradation capability of esterase. The enzyme was isolated from Salinicoccus roseus. Genome analysis unveiled the carboxylesterase genes underlying the degradation of pesticides, and was located between 2070Mbp to 2080Mbp region. Herein, partially purified esterase was immobilized into beads by mixing with an equal volume (1:1) of sodium alginate solution [2.5% (w/v)].Scanning electron microscopy (SEM) of the beads showed the microspheres for enhanced enzyme-substrate reaction, wide peak at 3316, 1635 and 696 cm in Fourier-transform infrared spectroscopy (FTIR) represented intermolecular hydrogen bonding, and thermogravimetric analysis (TGA) reaffirmed the binding of esterase entrapped into the beads. Maximum degradation rate (after 4 days) for free enzyme accounted 83.2% in Hexaconazole. Degradation rate moderately increased 4% in the presence of immobilized esterase. Degradation products were detected by liquid chromatography-mass spectrometry (LC-MS). Cytotoxicity test (root length and mitotic index) revealed differences in various treatments. Enzyme kinetics parameters, Michaëlis-Menten constant (K) 6.61 mM and maximum velocity (V) 1.89 µmol/min/mg increased after immobilization. Further, molecular docking results validated that esterase contributed to pesticide degradation by catalytic triad of Ser-His-Phe, ligand interactions, and specific binding pockets. Additionally, molecular dynamics (MD) simulations confirmed the protein-ligand conformational stability. Hence, present study highlighted an effective method for improving the catalytic properties of esterase, and also potential candidate for bioremediation of pesticides.
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http://dx.doi.org/10.1038/s41598-024-73165-6 | DOI Listing |
Sci Rep
December 2024
Department of Botany, The University of Burdwan, Purba Bardhaman, 713104, West Bengal, India.
The continuous exposure of chemical pesticides in agriculture, their contamination in soil and water pose serious threat to the environment. Current study used an approach to evaluate various pesticides like Hexaconazole, Mancozeb, Pretilachlor, Organophosphate and λ-cyhalothrin degradation capability of esterase. The enzyme was isolated from Salinicoccus roseus.
View Article and Find Full Text PDFMolecules
December 2024
Science Institute, Chemistry Department, University of Iceland, Dunhaga 3, 107 Reykjavik, Iceland.
This report describes the asymmetric synthesis of a focused library of enantiopure structured triacylglycerols (TAGs) comprised of a single saturated fatty acid (C6, C8, C10, C12, C14 or C16), a pure bioactive n-3 polyunsaturated fatty acid (EPA or DHA) and a potent drug (ibuprofen or naproxen) intended as a novel type of prodrug. One of the terminal -1 or -3 positions of the glycerol backbone is occupied with a saturated fatty, the remaining one with a PUFA, and the drug entity is present in the -2 position. This was accomplished by a six-step chemoenzymatic approach starting from enantiopure ()- and ()-solketals.
View Article and Find Full Text PDFAnal Biochem
December 2024
Biosensors Research Lab, Zewail City of Science and Technology, 6th October City, Giza, 12578, Egypt; Applied Organic Chemistry Department, National Research Centre (NRC), Dokki, Giza, 2622, Egypt. Electronic address:
Organophosphate pesticides (OPs) are causing non-selective inhibition in enzymatic bioreceptors, thus the enzymatic-inhibition-based traditional assays are not suitable for their specific detection in food and environmental samples. Accordingly, a selective nanostructured electrochemical biosensing system was designed using six mutants of the esterase-2 (EST2 protein) enzymes from A. acidocaldarius to be exploited as targeting bio-receptors for the specific detection of OPs.
View Article and Find Full Text PDFAnal Chem
December 2024
School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, PR China.
Organic photoelectrochemical transistor (OPECT) assays are mainly focused on the improvement of photoactive materials at the gating interface, which leads to an enhanced initial signal alongside significant background noise. This phenomenon can cause considerable deviations and impose limits on target detection. In this study, we achieved sensitive and low-background detection of alkaline phospholipase (ALP) activity using single-stranded DNA (ssDNA) as a nanocarrier to effectively immobilizing CdS quantum dots (QDs) sensitizing UiO-66.
View Article and Find Full Text PDFNat Commun
November 2024
School of Chemistry and Chemical Engineering, Shanxi University, Taiyuan, 030006, China.
The artificial engineering of an enzyme's structural conformation and dynamic properties to promote its catalytic activity and stability outside cellular environments is highly pursued in industrial biotechnology. Here, we describe an elegant strategy of combining the rationally designed liquid-solid hybrid microreactor with a tailor-made polyethylene glycol functional ionic liquid (PEG-IL) microenvironment to exercise a high level of control over the configuration of enzymes for practical continuous-flow biocatalysis. As exemplified by a lipase driven kinetic resolution reaction, the obtained system exhibits a 2.
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