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Molecular Docking Characterizes Substrate-Binding Sites and Efflux Modulation Mechanisms within P‑Glycoprotein

Journal of chemical information and modeling, 2013-07, Vol.53 (7), p.1747-1760

2013

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Insights on P-Glycoprotein’s Efflux Mechanism Obtained by Molecular Dynamics Simulations

Journal of chemical theory and computation, 2012-06, Vol.8 (6), p.1853-1864

2012

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Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies

Scientific reports, 2017-11, Vol.7 (1), p.15534-17, Article 15534

2017

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Extraction optimization and reactivity of 7α-acetoxy-6β-hydroxyroyleanone and ability of its derivatives to modulate PKC isoforms

Scientific reports, 2024-07, Vol.14 (1), p.16990-12, Article 16990

2024

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Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers

Journal of natural products (Washington, D.C.), 2018-09, Vol.81 (9), p.2032-2040

2018

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Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones

International journal of molecular sciences, 2020-05, Vol.21 (10), p.3671

2020

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From sterile labs to rich VR: Immersive multisensory context critical for odors to induce motivated cleaning behavior

Behavior research methods, 2020-08, Vol.52 (4), p.1657-1670

2020

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Combining 1,3‐Ditriazolylbenzene and Quinoline to Discover a New G‐Quadruplex‐Interactive Small Molecule Active against Cancer Stem‐Like Cells

ChemMedChem, 2019-07, Vol.14 (14), p.1325-1328

2019

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Exploring the Monoterpene Indole Alkaloid Scaffold for Reversing P-Glycoprotein-Mediated Multidrug Resistance in Cancer

Pharmaceuticals (Basel, Switzerland), 2021-08, Vol.14 (9), p.862

2021

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Geostationary aerosol retrievals of extreme biomass burning plumes during the 2019–2020 Australian bushfires

Atmospheric measurement techniques, 2024-05, Vol.17 (10), p.3279-3302

2024

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Theoretical insights on helix repacking as the origin of P-glycoprotein promiscuity

Scientific reports, 2020-06, Vol.10 (1), p.9823, Article 9823

2020

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Controlled Nitrogen Doping and Film Colorimetrics in Porous TiO2 Materials Using Plasma Processing

ACS applied materials & interfaces, 2010-06, Vol.2 (6), p.1743-1753

2010

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Enhancing Macrocyclic Diterpenes as Multidrug-Resistance Reversers: Structure–Activity Studies on Jolkinol D Derivatives

Journal of medicinal chemistry, 2013-02, Vol.56 (3), p.748-760

2013

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Molecular Dynamics Study of the Gold/Ionic Liquids Interface

The journal of physical chemistry. B, 2015-07, Vol.119 (30), p.9883-9892

2015

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Interfacial Excess Free Energies of Solid-Liquid Interfaces by Molecular Dynamics Simulation and Thermodynamic Integration

Macromolecular rapid communications., 2009-05, Vol.30 (9-10), p.864-870

2009

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A tryptophanol-derived oxazolopiperidone lactam is cytotoxic against tumors via inhibition of p53 interaction with murine double minute proteins

Pharmacological research, 2015-05, Vol.95-96 (C), p.42-52

2015

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Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P‑Glycoprotein Inhibitors

ACS medicinal chemistry letters, 2020-05, Vol.11 (5), p.839-845

2020

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Synthesis, G-Quadruplex Stabilisation, Docking Studies, and Effect on Cancer Cells of Indolo[3,2-b]quinolines with One, Two, or Three Basic Side Chains

ChemMedChem, 2013-10, Vol.8 (10), p.1648-1661

2013

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Indolo[3,2-c]quinoline G-Quadruplex Stabilizers: a Structural Analysis of Binding to the Human Telomeric G-Quadruplex

ChemMedChem, 2015-05, Vol.10 (5), p.836-849

2015

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Do Drugs Have Access to the P‑Glycoprotein Drug-Binding Pocket through Gates?

Journal of chemical theory and computation, 2015-10, Vol.11 (10), p.4525-4529

2015

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Incorporation of Basic Side Chains into Cryptolepine Scaffold: Structure−Antimalarial Activity Relationships and Mechanistic Studies

Journal of medicinal chemistry, 2011-02, Vol.54 (3), p.734-750

2011

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Toward a Better Pharmacophore Description of P-Glycoprotein Modulators, Based on Macrocyclic Diterpenes from Euphorbia Species

Journal of chemical information and modeling, 2011-06, Vol.51 (6), p.1315-1324

2011

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Urolithin B: Two-way attack on IAPP proteotoxicity with implications for diabetes

Frontiers in endocrinology (Lausanne), 2022-12, Vol.13, p.1008418-1008418

2022

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Author Correction: Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies

Scientific reports, 2018-04, Vol.8 (1), p.6355-1, Article 6355

2018

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Reversing cancer multidrug resistance: insights into the efflux by ABC transports from in silico studies

Wiley interdisciplinary reviews. Computational molecular science, 2015-01, Vol.5 (1), p.27-55

2015

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