Utilization of blood by-products: An in silico and experimental combined study for BSA usage
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DOI: 10.1038/s41598-017-17029-2
Abstract: In order to exploit industrial discards, protein enzymatic hydrolysis is a currently popular methodology for obtaining bioactive peptides. However, once released, most promising peptides have to be selected from the mixture. In this work, the… read more here.
Keywords: utilization blood; products silico; silico experimental; bioactive peptides ... See more keywords
In Silico and Experimental ADAM17 Kinetic Modeling as Basis for Future Screening System for Modulators
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DOI: 10.3390/ijms23031368
Abstract: Understanding the mechanisms of modulators’ action on enzymes is crucial for optimizing and designing pharmaceutical substances. The acute inflammatory response, in particular, is regulated mainly by a disintegrin and metalloproteinase (ADAM) 17. ADAM17 processes several… read more here.
Keywords: adam17 kinetic; experimental adam17; modeling basis; kinetic modeling ... See more keywords
In Silico and Experimental Investigation of the Biological Potential of Some Recently Developed Carprofen Derivatives
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DOI: 10.3390/molecules27092722
Abstract: The efficient regioselective bromination and iodination of the nonsteroidal anti-inflammatory drug (NSAID) carprofen were achieved by using bromine and iodine monochloride in glacial acetic acid. The novel halogenated carprofen derivatives were functionalized at the carboxylic… read more here.
Keywords: biological potential; experimental investigation; carprofen; carprofen derivatives ... See more keywords
Combined In Silico and Experimental Investigations of Resveratrol Encapsulation by Beta-Cyclodextrin
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DOI: 10.3390/plants11131678
Abstract: The results of the computational and the physicochemical studies of the encapsulation of resveratrol with β-cyclodextrin are presented here. At first, the molecular docking experiments predicted good binding. Several MD simulations and MM-PBSA experiments confirmed… read more here.
Keywords: inclusion complex; resveratrol; silico experimental; combined silico ... See more keywords