Tailor-made recombinant prokaryotic lectins for characterisation of glycoproteins

Fernandez-Poza, S.; Padros, A.; Thompson, Roisin; Butler, Lucy; Islam, Meez; Mosely, Jackie A.; Scrivens, James H.; Rehman, Muhammad Fayyaz ur; Akram, Muhammad Safwan

doi:10.1016/j.aca.2021.338352

Cited by 13 publications

(8 citation statements)

References 44 publications

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“…The YASARA Structure (ver. 20.7.4) software was used for virtual screening using a modified AutoDock-Lamarckian Genetic Algorithm and a standard parameter described elsewhere. ,, Protein–ligand interactions were studied to rank the best binding ligands with respect to binding energy and dissociation constants. The figures were prepared using PyMol and LigPlot.…”

Section: Methodsmentioning

confidence: 99%

In Vivo and In Silico Assessment of the Cardioprotective Effect of Thymus linearis Extract against Ischemic Myocardial Injury

et al. 2022

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Myocardial infarction is irreversible cardiac tissue necrosis due to the blockage of one of the arteries. It leads to an insufficient supply of oxygen and nutrients, creating muscular damage in the affected regions. In the present study, aqueous methanolic extract of Thymus linearis was prepared to evaluate its activity against ischemic stress due to free radical production. GC−MS analysis was performed to evaluate the phytochemicals present in the plant extract. A chemical database of 30 compounds was virtually screened against NF-κB, COX2, and MCL, where γ-cadinene, β-bisabolene, and β-caryophyllene were found to be the best interacting ligands. To systematically assess cardioprotective activity against ischemia, isoproterenol and doxorubicin were used to induce cardiotoxicity in rats. The prepared extract of T. linearis (100 mg/kg) was given daily to animals for 21 days before injecting isoproterenol (85 mg/kg of animal weight) subcutaneously in two doses on the 20th and 21st days. In the case of doxorubicin, cardiotoxicity was induced in rats by a single injection (15 mg/ kg) on the seventh day, and the extract was given to animals for 10 consecutive days. Animals' blood samples were used to monitor cardiac, liver, and other marker enzymes, including LDH, CPK, and AST. Superoxide dismutase (SOD), catalase (CAT), and malondialdehyde (MDA) were also assayed in blood plasma to determine the degree of oxidative stress. H&E staining was performed to evaluate cardioprotection by plant extract, showing significant preventive effects in reducing cardiac injury induced by isoproterenol and doxorubicin.

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Section: Methodsmentioning

confidence: 99%

In Vivo and In Silico Assessment of the Cardioprotective Effect of Thymus linearis Extract against Ischemic Myocardial Injury

et al. 2022

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“…Molecular Dynamic simulations (MDS) were performed using YASARA Structure ver. 20.7.4 [ 106 ] with AMBER14 as a force field as described before [ 109 ]. The simulation cell was prepared by providing 20 Å water-filled space around the fully mobile protein with a density of 0.997 g/mL.…”

Section: Methodsmentioning

confidence: 99%

Effectiveness of Natural Antioxidants against SARS-CoV-2? Insights from the In-Silico World

et al. 2021

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The SARS CoV-2 pandemic has affected millions of people around the globe. Despite many efforts to find some effective medicines against SARS CoV-2, no established therapeutics are available yet. The use of phytochemicals as antiviral agents provides hope against the proliferation of SARS-CoV-2. Several natural compounds were analyzed by virtual screening against six SARS CoV-2 protein targets using molecular docking simulations in the present study. More than a hundred plant-derived secondary metabolites have been docked, including alkaloids, flavonoids, coumarins, and steroids. SARS CoV-2 protein targets include Main protease (MPro), Papain-like protease (PLpro), RNA-dependent RNA polymerase (RdRp), Spike glycoprotein (S), Helicase (Nsp13), and E-Channel protein. Phytochemicals were evaluated by molecular docking, and MD simulations were performed using the YASARA structure using a modified genetic algorithm and AMBER03 force field. Binding energies and dissociation constants allowed the identification of potentially active compounds. Ligand-protein interactions provide an insight into the mechanism and potential of identified compounds. Glycyrrhizin and its metabolite 18-β-glycyrrhetinic acid have shown a strong binding affinity for MPro, helicase, RdRp, spike, and E-channel proteins, while a flavonoid Baicalin also strongly binds against PLpro and RdRp. The use of identified phytochemicals may help to speed up the drug development and provide natural protection against SARS-CoV-2.

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“…Lectin−glycan recognition has recently been coupled with the biolayer interferometry into a rapid HT screening platform based on biotinylated recombinant prokaryotic lectins and streptavidin-coated sensor. 395 Some of the most widely used biotherapeutics, e.g., Fc-fusion protein etanercept, are also O-glycosylated, with glycosylation potentially affecting their biological function. Therefore, complete characterization of therapeutic glycoproteins' glycosylation is of utmost importance.…”

Section: Glycoprofiling Of Biopharmaceuticalsmentioning

confidence: 99%

“…Lectin–glycan recognition has recently been coupled with the biolayer interferometry into a rapid HT screening platform based on biotinylated recombinant prokaryotic lectins and streptavidin-coated sensor …”

Section: Applicationsmentioning

confidence: 99%

High-Throughput Glycomic Methods

et al. 2022

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Glycomics aims to identify the structure and function of the glycome, the complete set of oligosaccharides (glycans), produced in a given cell or organism, as well as to identify genes and other factors that govern glycosylation. This challenging endeavor requires highly robust, sensitive, and potentially automatable analytical technologies for the analysis of hundreds or thousands of glycomes in a timely manner (termed high-throughput glycomics). This review provides a historic overview as well as highlights recent developments and challenges of glycomic profiling by the most prominent high-throughput glycomic approaches, with N-glycosylation analysis as the focal point. It describes the current state-of-the-art regarding levels of characterization and most widely used technologies, selected applications of high-throughput glycomics in deciphering glycosylation process in healthy and disease states, as well as future perspectives.

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Tailor-made recombinant prokaryotic lectins for characterisation of glycoproteins

Cited by 13 publications

References 44 publications

In Vivo and In Silico Assessment of the Cardioprotective Effect of Thymus linearis Extract against Ischemic Myocardial Injury

In Vivo and In Silico Assessment of the Cardioprotective Effect of Thymus linearis Extract against Ischemic Myocardial Injury

Effectiveness of Natural Antioxidants against SARS-CoV-2? Insights from the In-Silico World

High-Throughput Glycomic Methods

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