AIMC Topic: Multidrug Resistance-Associated Proteins

Clear Filters Showing 1 to 6 of 6 articles

Machine Learning Modeling for ABC Transporter Efflux and Inhibition: Data Curation, Model Development, and New Compound Interaction Predictions.

Molecular pharmaceutics Oct 20, 2025
In recent years, multiple computational studies have used machine learning models to predict substrate binding and inhibition of ATP-binding cassette (ABC) transporters. However, many of these studies relied on relatively small training sets with lim...
Humans ATP-Binding Cassette Transporters Multidrug Resistance-Associated Proteins Multidrug Resistance-Associated Protein 2 Machine Learning Quantitative Structure-Activity Relationship
View on PubMed DOI

Development of a Support Vector Machine-Based System to Predict Whether a Compound Is a Substrate of a Given Drug Transporter Using Its Chemical Structure.

Journal of pharmaceutical sciences Jun 1, 2016
The aim of this study was to develop an in silico prediction system to assess which of 7 categories of drug transporters (organic anion transporting polypeptide [OATP] 1B1/1B3, multidrug resistance-associated protein [MRP] 2/3/4, organic anion transp...
Lipids Substrate Specificity Biological Transport Support Vector Machine Algorithms Multidrug Resistance-Associated Proteins Molecular Weight Pharmaceutical Preparations Predictive Value of Tests Carrier Proteins Computer Simulation
View on PubMed DOI

Integrating Bulk and Single-Cell Transcriptomics with Machine Learning Reveals a Heme Metabolism-Based Panel for Lung Adenocarcinoma Chemotherapy Resistance.

International journal of molecular sciences May 14, 2025
Lung adenocarcinoma (LUAD) is a leading cause of cancer-related mortality, with heme metabolism playing a critical role in tumor progression and treatment resistance. This study investigates the clinical implications of heme metabolism in LUAD, focus...
Machine Learning Prognosis Female Humans Multidrug Resistance-Associated Proteins Multidrug Resistance-Associated Protein 2 Drug Resistance, Neoplasm Adenocarcinoma of Lung Lung Neoplasms Transcriptome Gene Expression Regulation, Neoplastic Cell Line, Tumor Cisplatin Ferroptosis Single-Cell Analysis Heme Antineoplastic Agents Gene Expression Profiling
View on PubMed DOI

Effect of Genetic Polymorphisms on the Pharmacokinetics of Deferasirox in Healthy Chinese Subjects and an Artificial Neural Networks Model for Pharmacokinetic Prediction.

European journal of drug metabolism and pharmacokinetics Dec 1, 2020
BACKGROUND AND OBJECTIVE: Deferasirox is an oral iron chelator used to reduce iron levels in iron-overloaded patients with transfusion-dependent anemia or non-transfusion-dependent thalassemia. This study investigated the effects of genetic polymorph...
Glucuronosyltransferase Multidrug Resistance-Associated Proteins Multidrug Resistance-Associated Protein 2 Deferasirox Iron Chelating Agents Cytochrome P-450 CYP1A1 Cross-Over Studies Healthy Volunteers Drug Compounding Polymorphism, Genetic Half-Life Area Under Curve Asian People Polymorphism, Single Nucleotide Predictive Value of Tests Young Adult Humans Adult Neural Networks, Computer Middle Aged Male Female Adolescent
View on PubMed DOI

Predicting Inhibitors for Multidrug Resistance Associated Protein-2 Transporter by Machine Learning Approach.

Combinatorial chemistry & high throughput screening Jan 1, 2018
BACKGROUND: The efflux transporter multidrug resistance associated protein-2 belongs to ATP-binding cassette superfamily which plays an important role in multidrug resistance and drugdrug interactions. Efflux transporters are considered to be importa...
Drug Discovery Support Vector Machine Quantitative Structure-Activity Relationship Databases, Pharmaceutical Molecular Structure Multidrug Resistance-Associated Proteins Machine Learning Multidrug Resistance-Associated Protein 2 Algorithms
View on PubMed DOI

Machine learning-, rule- and pharmacophore-based classification on the inhibition of P-glycoprotein and NorA.

SAR and QSAR in environmental research Sep 1, 2016
The efflux pumps P-glycoprotein (P-gp) in humans and NorA in Staphylococcus aureus are of great interest for medicinal chemists because of their important roles in multidrug resistance (MDR). The high polyspecificity as well as the unavailability of ...
Multidrug Resistance-Associated Proteins Databases, Chemical Quantitative Structure-Activity Relationship Humans Machine Learning Algorithms Bacterial Proteins Drug Discovery ATP Binding Cassette Transporter, Subfamily B, Member 1 Staphylococcus aureus Ligands
View on PubMed DOI
Popular Topics
Recent Journals