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Membrane Transport Proteins

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Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design.

Expert opinion on drug discovery
INTRODUCTION: Drug-metabolizing enzymes (DMEs) and transporters (DTs) play integral roles in drug metabolism and drug-drug interactions (DDIs) which directly impact drug efficacy and safety. It is well-established that inhibition of DMEs and DTs ofte...

Kernel machine SNP set analysis finds the association of BUD13, ZPR1, and APOA5 variants with metabolic syndrome in Tehran Cardio-metabolic Genetics Study.

Scientific reports
Metabolic syndrome (MetS) is one of the most important risk factors for cardiovascular disease. The 11p23.3 chromosomal region plays a potential role in the pathogenesis of MetS. The present study aimed to assess the association between 18 single nuc...

Exploring the conformational diversity of proteins.

eLife
An artificial intelligence-based method can predict distinct conformational states of membrane transporters and receptors.

Trivariate Linear Regression and Machine Learning Prediction of Possible Roles of Efflux Transporters in Estimated Intestinal Permeability Values of 301 Disparate Chemicals.

Biological & pharmaceutical bulletin
A system for predicting apparent bidirectional permeability (P) across Caco-2 cells of diverse chemicals has been reported. The present study aimed to investigate the relationship between in silico-generated P (from apical to basal side, P) for 301 s...

In silico investigation on structure-function relationship of members belonging to the human SLC52 transporter family.

Proteins
Riboflavin is an essential water-soluble vitamin that needs to be provided through the diet because of the conversion into flavin adenine dinucleotide (FAD) and flavin mononucleotide (FMN), important cofactors in hundreds of flavoenzymes. The adsorpt...

State-of-the-art Application of Artificial Intelligence to Transporter-centered Functional and Pharmaceutical Research.

Current drug metabolism
Protein transporters not only have essential functions in regulating the transport of endogenous substrates and remote communication between organs and organisms, but they also play a vital role in drug absorption, distribution, and excretion and are...

Machine Learning Techniques Applied to the Study of Drug Transporters.

Molecules (Basel, Switzerland)
With the advancement of computer technology, machine learning-based artificial intelligence technology has been increasingly integrated and applied in the fields of medicine, biology, and pharmacy, thereby facilitating their development. Transporters...

PortPred: Exploiting deep learning embeddings of amino acid sequences for the identification of transporter proteins and their substrates.

Journal of cellular biochemistry
The physiology of every living cell is regulated at some level by transporter proteins which constitute a relevant portion of membrane-bound proteins and are involved in the movement of ions, small and macromolecules across bio-membranes. The importa...

Computational Chemistry in Structure-Based Solute Carrier Transporter Drug Design: Recent Advances and Future Perspectives.

Journal of chemical information and modeling
Solute carrier transporters (SLCs) are a class of important transmembrane proteins that are involved in the transportation of diverse solute ions and small molecules into cells. There are approximately 450 SLCs within the human body, and more than a ...

NA_mCNN: Classification of Sodium Transporters in Membrane Proteins by Integrating Multi-Window Deep Learning and ProtTrans for Their Therapeutic Potential.

Journal of proteome research
Sodium transporters maintain cellular homeostasis by transporting ions, minerals, and nutrients across the membrane, and Na+/K+ ATPases facilitate the cotransport of solutes in neurons, muscle cells, and epithelial cells. Sodium transporters are impo...