AIMC Topic: ATP Binding Cassette Transporter, Subfamily B, Member 1

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Assessing the anticholinergic cognitive burden classification of putative anticholinergic drugs using drug properties.

British journal of clinical pharmacology Jun 11, 2024
AIMS: This study evaluated the use of machine learning to leverage drug absorption, distribution, metabolism and excretion (ADME) data together with physicochemical and pharmacological data to develop a novel anticholinergic burden scale and compare ...
Humans Machine Learning Computer Simulation ATP Binding Cassette Transporter, Subfamily B, Member 1 Biological Availability Muscarinic Antagonists Cholinergic Antagonists Blood-Brain Barrier Cognition Models, Biological
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Effect of Oregon grape root extracts on P-glycoprotein mediated transport in cell lines.

Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques Jan 18, 2024
This study aims to investigate the potential of Oregon grape root extracts to modulate the activity of P-glycoprotein. We performed H-CsA or H-digoxin transport experiments in the absence or presence of two sources of Oregon grape root extracts (E1...
Madin Darby Canine Kidney Cells Dogs ATP Binding Cassette Transporter, Subfamily B, Member 1 Berberine Biological Transport Digoxin Mahonia Cyclosporine Caco-2 Cells Plant Roots Humans Animals Plant Extracts
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Excipient knowledgebase: Development of a comprehensive tool for understanding the disposition and interaction potential of common excipients.

CPT: pharmacometrics & systems pharmacology Aug 1, 2021
Although the use of excipients is widespread, a thorough understanding of the drug interaction potential of these compounds remains a frequent topic of current research. Not only can excipients alter the disposition of coformulated drugs, but it is l...
Cytochrome P-450 CYP3A Glycerol Excipients Humans ATP Binding Cassette Transporter, Subfamily B, Member 1 Computer Simulation Drug Interactions Models, Biological Knowledge Bases
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Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.

Journal of computer-aided molecular design Nov 19, 2019
Development of novel in silico methods for questing novel PgP inhibitors is crucial for the reversal of multi-drug resistance in cancer therapy. Here, we report machine learning based binary classification schemes to identify the PgP inhibitors from ...
Humans Solvents Thermodynamics Small Molecule Libraries Machine Learning Drug Discovery ATP Binding Cassette Transporter, Subfamily B, Member 1
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A Machine Learning-Based Prediction Platform for P-Glycoprotein Modulators and Its Validation by Molecular Docking.

Cells Oct 21, 2019
P-glycoprotein (P-gp) is an important determinant of multidrug resistance (MDR) because its overexpression is associated with increased efflux of various established chemotherapy drugs in many clinically resistant and refractory tumors. This leads to...
Humans Artificial Intelligence Drug Discovery ATP Binding Cassette Transporter, Subfamily B, Member 1 Machine Learning Software Molecular Docking Simulation
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Multiclass Classifier for P-Glycoprotein Substrates, Inhibitors, and Non-Active Compounds.

Molecules (Basel, Switzerland) May 25, 2019
P-glycoprotein (P-gp) is a transmembrane protein that actively transports a wide variety of chemically diverse compounds out of the cell. It is highly associated with the ADMET (absorption, distribution, metabolism, excretion and toxicity) properties...
ATP Binding Cassette Transporter, Subfamily B, Member 1 Mice Models, Theoretical Models, Molecular Humans Neural Networks, Computer Animals Drug Discovery
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Development of Simplified in Vitro P-Glycoprotein Substrate Assay and in Silico Prediction Models To Evaluate Transport Potential of P-Glycoprotein.

Molecular pharmaceutics Apr 16, 2019
For efficient drug discovery and screening, it is necessary to simplify P-glycoprotein (P-gp) substrate assays and to provide in silico models that predict the transport potential of P-gp. In this study, we developed a simplified in vitro screening m...
ATP Binding Cassette Transporter, Subfamily B LLC-PK1 Cells Animals Drug Discovery Swine ATP Binding Cassette Transporter, Subfamily B, Member 1 Drug Evaluation, Preclinical Central Nervous System Agents Transfection Machine Learning Biological Availability Computer Simulation Data Accuracy Reproducibility of Results Cell Membrane Permeability Protein Transport Intestinal Absorption
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Theoretical Prediction of the Complex P-Glycoprotein Substrate Efflux Based on the Novel Hierarchical Support Vector Regression Scheme.

Molecules (Basel, Switzerland) Jul 22, 2018
P-glycoprotein (P-gp), a membrane-bound transporter, can eliminate xenobiotics by transporting them out of the cells or blood⁻brain barrier (BBB) at the expense of ATP hydrolysis. Thus, P-gp mediated efflux plays a pivotal role in altering the absorp...
Humans Computer Simulation Support Vector Machine Models, Molecular ATP Binding Cassette Transporter, Subfamily B, Member 1 Quantitative Structure-Activity Relationship
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Physiological based pharmacokinetic modeling to estimate in vivo Ki of ketoconazole on renal P-gp using human drug-drug interaction study result of fesoterodine and ketoconazole.

Drug metabolism and pharmacokinetics Nov 15, 2017
This study was conducted to estimate in vivo inhibition constant (Ki) of ketoconazole on renal P-glycoprotein (P-gp) using human drug-drug interaction (DDI) study result of fesoterodine and ketoconazole. Fesoterodine is a prodrug which is extensively...
Cytochrome P-450 CYP3A Inhibitors Kidney Humans Liver Male Models, Biological ATP Binding Cassette Transporter, Subfamily B, Member 1 Benzhydryl Compounds Drug Interactions Ketoconazole Cross-Over Studies Muscarinic Antagonists
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A new model of flavonoids affinity towards P-glycoprotein: genetic algorithm-support vector machine with features selected by a modified particle swarm optimization algorithm.

Archives of pharmacal research Dec 27, 2016
Flavonoids exhibit a high affinity for the purified cytosolic NBD (C-terminal nucleotide-binding domain) of P-glycoprotein (P-gp). To explore the affinity of flavonoids for P-gp, quantitative structure-activity relationship (QSAR) models were develop...
ATP Binding Cassette Transporter, Subfamily B, Member 1 Datasets as Topic Quantitative Structure-Activity Relationship Flavonoids Models, Chemical Protein Domains Protein Binding Support Vector Machine
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