In this paper, the techniques of modelling, docking and molecular dynamics were used to study eight single amino acid mutations of the enzyme PhnI to optimise its enzymatic degradation capability. The eight mutants were first equilibrated to avoid deformations of the secondary and tertiary structure and to minimise alterations in the functionality of the chimera enzymes that were obtained. For this purpose, we monitored the potential energy of the systems and the fluctuations of the backbone of the enzymes. The structures of mutant enzymes, at equilibrium, were subjected to docking calculations with selected PAHs. The results indicated a significant increase in the PAH-enzyme interaction with respect to the wild-type protein. The considerable computing resources offered by the GRID computing system made it possible to perform calculations on the entire enzyme system, consisting of six protein subunits, as highlighted in the recent literature.
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http://dx.doi.org/10.1016/j.jmgm.2012.02.005 | DOI Listing |
Bioconjug Chem
January 2025
Department of Pharmacology, University of Pennsylvania School of Medicine, Philadelphia, Pennsylvania 19104-5127, United States.
Red blood cells (RBCs) serve as natural transporters and can be modified to enhance the pharmacokinetics and pharmacodynamics of a protein cargo. Affinity targeting of Factor IX (FIX) to the RBC membrane is a promising approach to improve the (pro)enzyme's pharmacokinetics. For RBC targeting, purified human FIX was conjugated to the anti-mouse glycophorin A monoclonal antibody Ter119.
View Article and Find Full Text PDFJCO Precis Oncol
January 2025
McGill University Faculty of Medicine, Montréal, QC, Canada.
Purpose: MAP2K1/MEK1 mutations are potentially actionable drivers in cancer. MAP2K1 mutations have been functionally classified into three groups according to their dependency on upstream RAS/RAF signaling. However, the clinical efficacy of mitogen-activated protein kinase (MAPK) pathway inhibitors (MAPKi) for MAP2K1-mutant tumors is not well defined.
View Article and Find Full Text PDFACS Synth Biol
January 2025
Department of Life Sciences, Imperial College London, London SW7 2AZ, U.K.
Naturally occurring DNA inversion systems play an important role in the generation of genetic variation and adaptation in prokaryotes. Shufflon invertase (SI) from plasmid R64, recognizing asymmetric sites, has been adopted as a tool for synthetic biology. However, the availability of a single enzyme with moderate rates of recombination has hampered the more widespread use of SIs.
View Article and Find Full Text PDFJ Agric Food Chem
January 2025
Sericultural & Agri-Food Research Institute, Guangdong Academy of Agricultural Sciences/Key Laboratory of Functional Foods, Ministry of Agriculture and Rural Affairs/Guangdong Key Laboratory of Agricultural Products Processing, Guangzhou 510610, P. R. China.
In the current work, lychee pulp was subjected to ATCC 14917 fermentation, leading to a substantial increase (2.32-2.67-fold) in water-soluble polysaccharides (WSP).
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Engineering Design, Indian Institute of Technology Madras, Chennai 600036, India.
This study presents a novel optoporation technique using a titanium-coated TiO microstructure (TMS) device activated by an infrared diode laser for highly efficient intracellular delivery. The TMS device, fabricated with 120 nm titanium coating on a titanium dioxide (TiO) microstructure containing microneedles (height ∼2 μm and width ∼4.5 μm), demonstrates enhanced biocompatibility and thermal conductivity compared to the conventional TiO microstructure (MS).
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