AIMC Topic: Enzyme Inhibitors

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Cheminformatics Based Machine Learning Approaches for Assessing Glycolytic Pathway Antagonists of Mycobacterium tuberculosis.

Combinatorial chemistry & high throughput screening Jan 1, 2016
BACKGROUND: Tuberculosis is the second leading cause of death from an infectious disease worldwide after HIV, thus reasoning the expeditions in antituberculosis research. The rising number of cases of infection by resistant forms of M. tuberculosis h...
High-Throughput Screening Assays Enzyme Inhibitors Fructose-Bisphosphate Aldolase Tuberculosis Mycobacterium tuberculosis Machine Learning Algorithms Glycolysis Computational Biology Drug Design Humans
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Discrimination of Active and Weakly Active Human BACE1 Inhibitors Using Self-Organizing Map and Support Vector Machine.

Combinatorial chemistry & high throughput screening Jan 1, 2016
β-secretase (BACE1) is an aspartyl protease, which is considered as a novel vital target in Alzheimer`s disease therapy. We collected a data set of 294 BACE1 inhibitors, and built six classification models to discriminate active and weakly active inh...
Drug Design Support Vector Machine Alzheimer Disease Humans Sensitivity and Specificity Amyloid Precursor Protein Secretases Aspartic Acid Endopeptidases Enzyme Inhibitors Linear Models
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Use of a Machine Learning-Based High Content Analysis Approach to Identify Photoreceptor Neurite Promoting Molecules.

Advances in experimental medicine and biology Jan 1, 2016
High content analysis (HCA) has become a leading methodology in phenotypic drug discovery efforts. Typical HCA workflows include imaging cells using an automated microscope and analyzing the data using algorithms designed to quantify one or more spec...
Neurites Green Fluorescent Proteins Mice, Transgenic Computational Biology Enzyme Inhibitors Machine Learning Cell Tracking Algorithms Phosphotransferases Reproducibility of Results Photoreceptor Cells, Vertebrate Small Molecule Libraries Cells, Cultured Animals Primary Cell Culture
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Benefits of Allopurinol Treatment on Blood Pressure and Renal Function in Patients with Early Stage of Chronic Kidney Disease.

Journal of the Medical Association of Thailand = Chotmaihet thangphaet Dec 1, 2015
BACKGROUND: Hyperuricemia has been associated with increased risk of endothelial dysfunction, cardiovascular, and renal disease. Allopurinol is a potent xanthine oxidase inhibitor used in hyperuricemic patients. It has been shown to decrease cardiova...
Patient Acuity Allopurinol Hyperuricemia Glomerular Filtration Rate Blood Pressure Enzyme Inhibitors Uric Acid Biological Availability Male Female Cardiovascular Diseases Aged Renal Insufficiency, Chronic Middle Aged Humans Treatment Outcome Prospective Studies
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QSAR Analysis of Some Antagonists for p38 map kinase Using Combination of Principal Component Analysis and Artificial Intelligence.

Combinatorial chemistry & high throughput screening Jan 1, 2015
Quantitative relationships between structures of a set of p38 map kinase inhibitors and their activities were investigated by principal component regression (PCR) and principal componentartificial neural network (PC-ANN). Latent variables (called com...
Quantitative Structure-Activity Relationship Artificial Intelligence Principal Component Analysis Inhibitory Concentration 50 Enzyme Inhibitors p38 Mitogen-Activated Protein Kinases Models, Biological
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On the Origins of Hepatitis C Virus NS5B Polymerase Inhibitory Activity Using Machine Learning Approaches.

Current topics in medicinal chemistry Jan 1, 2015
Inhibition of non-structural protein 5B (NS5B) represents an attractive strategy for the therapeutic treatment of hepatitis C virus (HCV). In this study, machine learning classifiers such as artificial neural network (ANN), support vector machine (SV...
Machine Learning Viral Nonstructural Proteins Structure-Activity Relationship Drug Design High-Throughput Screening Assays Molecular Structure Enzyme Inhibitors
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Compressed images for affinity prediction-2 (CIFAP-2): an improved machine learning methodology on protein-ligand interactions based on a study on caspase 3 inhibitors.

Journal of enzyme inhibition and medicinal chemistry Jan 1, 2015
The aim of this study is to propose an improved computational methodology, which is called Compressed Images for Affinity Prediction-2 (CIFAP-2) to predict binding affinities of structurally related protein-ligand complexes. CIFAP-2 method is establi...
Enzyme Inhibitors Sulfonamides Ligands Dose-Response Relationship, Drug Humans Caspase 3 Structure-Activity Relationship Machine Learning Regression Analysis Molecular Structure
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