Exploring the Chemical Space of P-Glycoprotein Interacting Compounds.

No abstract is available for this paper.

• Publication year

  2017

• Venue

  Mini-Reviews in Medical Chemistry

• Publication date

  2017-08-31

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.2174/1389557516666160121120344PMID 26791738
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• 1,2,3-triazole-, arylamino- and thio-substituted 1,4-naphthoquinones: potent antitumor activity, electrochemical aspects, and bioisosteric replacement of C-ring-modified lapachones.

  2014cited by this paper
• Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein.

  2014cited by this paper
• ADMET evaluation in drug discovery. 13. Development of in silico prediction models for P-glycoprotein substrates.

  2014cited by this paper
• The P-glycoprotein transport system and cardiovascular drugs.

  2013cited by this paper
• Expanding medicinal chemistry space.

  2013cited by this paper
• Accurate models for P-gp drug recognition induced from a cancer cell line cytotoxicity screen.

  2013cited by this paper
• Ligand and Structure-Based Classification Models for Prediction of P-Glycoprotein Inhibitors

  2013cited by this paper
• P-glycoprotein Inhibition for Optimal Drug Delivery

  2013cited by this paper
• Computational models for predicting substrates or inhibitors of P-glycoprotein.

  2012cited by this paper
• Environmental chemicals as substrates, inhibitors or inducers of drug transporters: implication for toxicokinetics, toxicity and pharmacokinetics

  2012cited by this paper
• admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

  2012cited by this paper
• P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set

  2011cited by this paper
• Principles of early drug discovery

  2011cited by this paper
• ADME evaluation in drug discovery. 10. Predictions of P-glycoprotein inhibitors using recursive partitioning and naive Bayesian classification techniques.

  2011cited by this paper
• A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields.

  2011cited by this paper
• Molecular Dissection of Dual Pseudosymmetric Solute Translocation Pathways in Human P-Glycoprotein

  2011cited by this paper
• Transporters in the brain endothelial barrier.

  2010cited by this paper
• Emerging significance of flavonoids as P-glycoprotein inhibitors in cancer chemotherapy.

  2009cited by this paper
• Redox Regulation of Multidrug Resistance in Cancer Chemotherapy: Molecular Mechanisms and Therapeutic Opportunities

  2009cited by this paper
• Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock

  2009cited by this paper
• Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

  2009cited by this paper
• Intestinal efflux transporters and drug absorption.

  2008cited by this paper
• Drug-drug interactions affected by the transporter protein, P-glycoprotein (ABCB1, MDR1) I. Preclinical aspects.

  2007cited by this paper
• Copper deficiency

  2007cited by this paper
• Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

  2007cited by this paper
• A primer on the mechanics of P-glycoprotein the multidrug transporter.

  2007cited by this paper
• Identifying P-Glycoprotein Substrates Using a Support Vector Machine Optimized by a Particle Swarm

  2007cited by this paper
• Modulation of the function of the multidrug resistance–linked ATP-binding cassette transporter ABCG2 by the cancer chemopreventive agent curcumin

  2006cited by this paper
• Inhibition of multidrug resistance of cancer cells by natural diterpenes, triterpenes and carotenoids.

  2006cited by this paper
• A topological substructural approach for the prediction of P-glycoprotein substrates.

  2006cited by this paper
• Reversal of multidrug resistance in KB cells with tea polyphenol antioxidant capacity

  2005cited by this paper
• Predicting P-glycoprotein substrates by a quantitative structure-activity relationship model.

  2004cited by this paper
• Transporters and renal drug elimination.

  2004cited by this paper
• Classification Analysis of P-Glycoprotein Substrate Specificity

  2003cited by this paper
• ADMET in silico modelling: towards prediction paradise?

  2003cited by this paper
• Fast calculation of van der Waals volume as a sum of atomic and bond contributions and its application to drug compounds.

  2003cited by this paper
• A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein.

  2002cited by this paper
• beta-Amyloid efflux mediated by p-glycoprotein.

  2001cited by this paper
• Property-based design: optimization of drug absorption and pharmacokinetics.

  2001cited by this paper
• Multidrug resistance (MDR) in cancer. Mechanisms, reversal using modulators of MDR and the role of MDR modulators in influencing the pharmacokinetics of anticancer drugs.

  2000cited by this paper
• The importance of a nitrogen atom in modulators of multidrug resistance.

  1999cited by this paper
• Human P-glycoprotein exhibits reduced affinity for substrates during a catalytic transition state.

  1998cited by this paper
• Structural requirements for activity of propafenone-type modulators in P-glycoprotein-mediated multidrug resistance.

  1996cited by this paper
• Low incidence of MDR1 expression in acute promyelocytic leukaemia

  1995cited by this paper
• Is the multidrug transporter a flippase?

  1992cited by this paper
• Physical-chemical properties shared by compounds that modulate multidrug resistance in human leukemic cells.

  1988cited by this paper
• Internal duplication and homology with bacterial transport proteins in the mdr1 (P-glycoprotein) gene from multidrug-resistant human cells.

  1986cited by this paper
• A surface glycoprotein modulating drug permeability in Chinese hamster ovary cell mutants.

  1976cited by this paper

• Influence of probiotics and deoxycholate on azathioprine transport in the PAMPA model: insights into pharmacomicrobiomics and interindividual variability in drug response

  2025cites this paper
• Unveiling the Phytochemical Profiling by Chromatographic and Spectrometric Techniques and the Bioactive Potential of Rumex vesicarius L.

  2025cites this paper
• Identification of the Stapled α-Helical Peptide ATSP-7041 as a Substrate and Strong Inhibitor of OATP1B1 In Vitro

  2023cites this paper
• The role of the efflux transporter, P‐glycoprotein, at the blood–brain barrier in drug discovery

  2022cites this paper
• Ruthenium(II) and Platinum(II) Complexes with Biologically Active Aminoflavone Ligands Exhibit In Vitro Anticancer Activity

  2021cites this paper
• Structural characterization, DFT calculations, ADMET studies, antibiotic potentiating activity, evaluation of efflux pump inhibition and molecular docking of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

  2021cites this paper
• Peptide-mediated drug delivery across the blood-brain barrier for targeting brain tumors

  2019cites this paper
• Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors

  2017cites this paper
• P-glycoprotein transporter in drug development

  2016cites this paper
• Guest editorial: P-GLYCOPROTEIN TRANSPORTER IN DRUG DEVELOPMENT

  2016cites this paper