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Protease Inhibitors

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Protease inhibitors in various flours and breads: Effect of fermentation, baking and in vitro digestion on trypsin and chymotrypsin inhibitory activities.

Food chemistry 28159294
In this study trypsin (TIA) and chymotrypsin inhibitory (CIA) activities were determined in the extracts of wheat, rye mix, mixed cereals and, whole wheat flours and, breads made with these flours. In addition, effects of fermentation, baking and in ...
Bread Chymotrypsin Cooking Digestion Edible Grain Fermentation Flour Protease Inhibitors Secale Triticum Trypsin
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Classification models of HCV NS3 protease inhibitors based on support vector machine (SVM).

Combinatorial chemistry & high throughput screening 25410306
Inhibition of the hepatitis C virus (HCV) non-structural protein 3 (NS3) serine protease by molecule inhibitors is an attractive strategy for the treatment of hepatitis C. We built four classification models based on a dataset of 413 HCV NS3 protease...
Databases, Pharmaceutical Hepacivirus Hepatitis C Humans Molecular Docking Simulation Protease Inhibitors Quantitative Structure-Activity Relationship Support Vector Machine Viral Nonstructural Proteins
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Protease Inhibitors in View of Peptide Substrate Databases.

Journal of chemical information and modeling 27247997
Protease substrate profiling has nowadays almost become a routine task for experimentalists, and the knowledge on protease peptide substrates is easily accessible via the MEROPS database. We present a shape-based virtual screening workflow using vROC...
Databases, Pharmaceutical Drug Evaluation, Preclinical Ligands Machine Learning Models, Molecular Peptide Hydrolases Peptides Protease Inhibitors Protein Conformation Small Molecule Libraries Substrate Specificity User-Computer Interface
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QSAR studies of the bioactivity of hepatitis C virus (HCV) NS3/4A protease inhibitors by multiple linear regression (MLR) and support vector machine (SVM).

Bioorganic & medicinal chemistry letters 28501513
In this study, quantitative structure-activity relationship (QSAR) models using various descriptor sets and training/test set selection methods were explored to predict the bioactivity of hepatitis C virus (HCV) NS3/4A protease inhibitors by using a ...
Antiviral Agents Dose-Response Relationship, Drug Hepacivirus Linear Models Molecular Structure Protease Inhibitors Quantitative Structure-Activity Relationship Serine Proteases Support Vector Machine Viral Nonstructural Proteins
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