Kinetic profiling of drug binding to its target reveals important mechanistic parameters including drug-target residence time. In this chapter, we focus on global progress curve analysis as a convenient method for kinetic profiling. Detailed guidelines with pros and cons for various experimental designs and data analysis are provided. Kinetic profiling of Boceprevir and Telaprevir is illustrated.
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http://dx.doi.org/10.1007/978-1-62703-484-5_6 | DOI Listing |
Int J Biol Macromol
December 2024
Department of Chemistry, University of Saskatchewan, Saskatoon, SK S7N 5C9, Canada.
Chitosan salicylaldehyde/calcium oxide nanoparticle (CS-SL/CaO) was synthesized by hydrothermal process and isolated via different drying processes, namely, air-drying (AD) and freeze-drying (FD). The physicochemical properties of freeze-dried CS-SL/CaO nanoparticle (CS-SL/CaO-FD) and air-dried CS-SL/CaO nanoparticle (CS-SL/CaO-AD) were compared. In particular, the adsorption properties reveal that the specific surface area of CS-SL/CaO-FD increased by ca.
View Article and Find Full Text PDFFood Chem
December 2024
SKL of Marine Food Processing & Safety Control, National Engineering Research Center of Seafood, Collaborative Innovation Center of Seafood Deep Processing, School of Food Science and Technology, Dalian Polytechnic University, Dalian 116034, China. Electronic address:
The present study was performed to investigate the digestive profiles of snakeheads' belly muscles (BM), tail muscles (TM) dorsal muscles (DM), and eye muscles (EM), with further explorations of relevant factors. Kinetic models were adopted to describe the digestion process with crucial parameters. BM showed the highest digestibility and digestive rate, followed by DM, TM, and EM.
View Article and Find Full Text PDFSci Rep
December 2024
Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran.
In this work, a novel series of quinoline-thiosemicarbazone-1,2,3-triazole-aceamide derivatives 10a-n as new potent α-glucosidase inhibitors was designed, synthesized, and evaluated. All the synthesized derivatives 10a-n were more potent than acarbose (positive control). Representatively, (E)-2-(4-(((3-((2-Carbamothioylhydrazineylidene)methyl)quinolin-2-yl)thio)methyl)-1H-1,2,3-triazol-1-yl)-N-phenethylacetamide (10n), as the most potent entry, with IC = 48.
View Article and Find Full Text PDFBiochem Biophys Res Commun
December 2024
Universidad Nacional de Córdoba, Facultad de Ciencias Exactas, Físicas y Naturales, Departamento de Química, Cátedra de Química Biológica, Córdoba, Argentina; CONICET, Instituto de Investigaciones Biológicas y Tecnológicas (IIByT). Córdoba, Argentina. Electronic address:
Monoterpenes (MTs), the major constituents of plant essential oils, cover a broad spectrum of biological activities through their interaction with biomembranes. MTs are highly hydrophobic substances with a net electrical dipole, but are not clearly amphipathic. As a result, they aggregate at increasing concentrations in aqueous media, and in membrane environments their behavior changes from dynamics modulators to disruptors.
View Article and Find Full Text PDFJ Chem Inf Model
December 2024
Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States.
Drug efficacy often correlates better with dissociation kinetics than binding affinity alone. To study binding kinetics computationally, it is necessary to identify all of the possible ligand dissociation pathways. The site identification by ligand competitive saturation (SILCS) method involves the precomputation of a set of maps (FragMaps), which describe the free energy landscapes of typical chemical functionalities in and around a target protein or RNA.
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