Drug Transport and Resistance Mechanisms

Structural insight into binding site access and ligand recognition by human ABCB1

This study presents cryo-EM structures of human ABCB1 in different states, revealing structural asymmetry and TM4's role in substrate recognition and transport.

Structural basis for the transport and regulation mechanism of the Multidrug resistance-associated protein 2

This study determines the cryo-EM structures of MRP2 in three conformational states, revealing its transport mechanism and substrate recognition.

Nucleotide Asymmetry and Flexible Linker Dynamics Modulate Drug Efflux Cycle of P-glycoprotein, a Computational Study

This study uses computational methods to investigate how nucleotide asymmetry and linker dynamics influence the drug efflux mechanism of P-glycoprotein.

Membrane-Dependent Dynamics and Dual Translocation Mechanisms of ABCB4: Insights from Molecular Dynamics Simulations

This study uses molecular dynamics simulations to investigate ABCB4 transport mechanisms, revealing membrane-dependent dynamics and dual translocation pathways for phosphatidylcholine.

A Quantitative Approach for Assessing Multidrug Resistance in Cancer

This paper develops a quantitative platform to assess P-glycoprotein (Pgp) substrate specificity in cancer cells using integrated experimental and computational methods, validating results across ~150 FDA-approved oncology drugs.

Structure, dynamics and evolution of the Candida albicans multi-drug resistance ABC transporter CDR1

This study presents high-resolution structures of C. albicans Cdr1 in multiple states and uses simulations and evolutionary analysis to elucidate its transport mechanism and drug resistance.

CIGB-300 reverses chemo-resistance in MDR1-transfected lung squamous cancer cells

This study shows that CIGB-300 reverses multidrug resistance in ABCB1-overexpressing lung cancer cells by inhibiting ABCB1 expression and related signaling pathways.

Characterization and implication of the Orai3 channel and ABC type transporters in the phenomenon of chemoresistance to cisplatin and pemetrexed in lung cancer.

The paper investigates the role of Orai3 channels and ABC transporters in chemoresistance to pemetrexed and cisplatin in lung cancer, finding that Orai3 is not involved in pemetrexed resistance but may influence cisplatin resistance.

Atomic-Level Free Energy Landscape Reveals Cooperative Symport Mechanism of Melibiose Transporter

This study maps the atomic-level free energy landscape of Na+-coupled melibiose transport in MelBSt, revealing cooperative binding mechanisms and allosteric coupling between substrates.

SLC35G1: A highly chloride-sensitive transporter responsible for the basolateral membrane transport in intestinal citrate absorption

This study identifies SLC35G1 as a chloride-sensitive transporter responsible for basolateral citrate absorption in the intestine.

Microbially-conjugated Bile Salts Found in Human Bile Activate the Bile Salt Receptors TGR5 and FXR.

The paper identifies microbial bile salt conjugates that activate TGR5 and FXR receptors in human systems and quantifies their presence in blood and bile.

Mobile barrier mechanisms for Na+-coupled symport in an MFS sugar transporter

This study determines the structure and dynamics of a Na+-coupled sugar transporter, revealing how mobile barriers regulate substrate binding and release.

Molecular basis of Progressive Familial Intrahepatic Cholestasis 3. A proteomics study.

This study identifies differentially expressed and phosphorylated proteins in PFIC3 liver samples and a murine model, revealing key cellular processes involved in disease progression.

Cocaine Regulates Antiretroviral Therapy CNS Access Through Pregnane-X Receptor-Mediated Drug Transporter and Metabolizing Enzyme Modulation at the Blood Brain Barrier

This study investigates how cocaine affects the transport and metabolism of antiretroviral drugs across the blood-brain barrier by modulating drug transporters and enzymes.

Revisiting the effects of MDR1 Variants using computational approaches

This study uses computational methods to analyze the effects of MDR1 variants on gene expression and patient prognosis, finding that T1236C increases MDR1 levels and correlates with worse prognosis.

The substrate-binding domains of the osmoregulatory ABC importer OpuA transiently interact

The paper shows that the substrate-binding domains of OpuA transiently interact in an ionic strength-dependent manner, supporting a cooperative transport mechanism.

Insights into Intestinal P-glycoprotein Function using Talinolol: A PBPK Modeling Approach

This paper develops a PBPK model of talinolol to study P-gp function and its impact on pharmacokinetics under various conditions.

Structural basis for triacylglyceride extraction frommycobacterial inner membrane by MFS transporter Rv1410

The paper reports the structure of MFS transporter Rv1410 and proposes a mechanism for triacylglyceride extraction from the mycobacterial inner membrane into the periplasm.

Perturbations in 3D genome organization can promote acquired drug resistance

The paper shows that disrupting nuclear lamina association promotes ABCB1 gene derepression and taxol resistance in RPE cells.

A physiologically based model of bile acid metabolism in mice

This study develops a physiologically-based model of bile acid metabolism in mice to understand its dynamics and implications for disease.

Structural and Mechanistic Basis of Substrate Transport by the Multidrug Transporter MRP4

This study reports cryo-EM structures of MRP4 with various substrates, revealing molecular details of its transport mechanism and broad substrate specificity.

Structure and mechanism of the tripartite ATP-independent periplasmic (TRAP) transporter

The paper reports the cryo-EM structure of a TRAP transporter and elucidates its mechanism of sodium-driven substrate uptake.

Elevator Mechanism of Alternating Access in the Escherichia coli Concentrative Nucleoside Transporter NupC

The paper characterizes the structure and function of E. coli NupC, a nucleoside transporter, using computational and experimental methods, revealing an elevator-type mechanism of transport.

Mechanistic insight into substrate specificity of plant glucosinolate transporters

The paper investigates how two plant glucosinolate transporters (GTRs) recognize and transport different substrates by mutating residues and analyzing their effects on substrate preference.

Functional characterization of putative ecdysone transporters in lepidopteran pests

This paper functionally characterizes OATP74D as an essential ecdysone transporter in two lepidopteran pests, showing its role in development and gene regulation.

Systematic in silico discovery of novel solute carrier-like proteins from proteomes

The paper identifies 120 additional human proteins with potential SLC-like properties using computational methods and proposes a framework for classifying and analyzing these proteins.

Transmembrane helices 5 and 12 control transport dynamics, substrate affinity and specificity in the elevator-type UapA transporter

The paper investigates the role of transmembrane segments 5 and 12 in the UapA transporter, showing how specific residues affect transport dynamics, substrate affinity, and specificity.

Genetic characterization of ABC pesticide transporters establishes Drosophila as an in vivo model for toxicogenetics

This study characterizes ABC pesticide transporters in Drosophila to establish it as a model for toxicogenetics, identifying key transporters involved in pesticide sensitivity.

Structural insights as to how iron-loaded siderophores are imported into Mycobacterium tuberculosis by IrtAB

This study reports the structure of Mtb IrtAB in different states, revealing its mechanism for importing iron-loaded siderophores through ATP-driven conformational changes.

Sensitization of Chrysosplenetin against Artemisinin Resistant Plasmodium berghei K173 via Blocking Host ABC Transporters Potentially Mediated by NF-κBB p52 or PXR/CAR Signaling Pathway

This study shows that combining artemisinin with chrysosplenetin enhances antimalarial efficacy against resistant Plasmodium berghei by inhibiting host ABC transporters through NF-κB p52 and PXR/CAR pathways.