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Structure activity relationships and the binding mode of quinolinone-pyrimidine hybrids as reversal agents of multidrug resistance mediated by P-gp

Scientific reports, 2021-08, Vol.11 (1), p.16856-18, Article 16856

2021

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Novel betulin derivatives as multidrug reversal agents targeting P-glycoprotein

Scientific reports, 2024-01, Vol.14 (1), p.70-70, Article 70

2024

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Plant extracts and betulin from Ligaria cuneifolia inhibit P-glycoprotein function in leukemia cells

Food and chemical toxicology, 2021-01, Vol.147, p.111922, Article 111922

2021

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Inhibitory effects of compounds isolated from Lepechinia meyenii on tyrosinase

Food and chemical toxicology, 2019-03, Vol.125, p.383-391

2019

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Molecular dynamics and structure function analysis show that substrate binding and specificity are major forces in the functional diversification of Eqolisins

BMC bioinformatics, 2018-09, Vol.19 (1), p.338-338, Article 338

2018

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Synthesis of new cyano‐substituted analogues of Tröger's bases from bromo‐derivatives. A stereochemical dependence of long‐range (nJHH, n = 4, 5, and 6) proton–proton and proton–carbon (nJCH, n = 1, 2, 3, 4, and 5) coupling constants of these compounds

Magnetic resonance in chemistry, 2019-07, Vol.57 (7), p.423-454

2019

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Analogues of the Lignan Pinoresinol as Novel Lead Compounds for P‑glycoprotein (P-gp) Inhibitors

ACS medicinal chemistry letters, 2018-12, Vol.9 (12), p.1186-1192

2018

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Experimental and theoretical studies on the enantioselectivity of molecularly imprinted polymers prepared with a chiral functional monomer

Journal of Chromatography A, 2012-11, Vol.1266, p.24-33

2012

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The thiophene α-terthienylmethanol isolated from Tagetes minuta inhibits angiogenesis by targeting protein kinase C isozymes α and β2

Frontiers in pharmacology, 2022-10, Vol.13, p.1007790-1007790

2022

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In search for an optimal methodology to calculate the valence electron affinities of temporary anions

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (40), p.9013-9024

2009

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Mechanism Underlying the Reversal of Drug Resistance in P-Glycoprotein-Expressing Leukemia Cells by Pinoresinol and the Study of a Derivative

Frontiers in pharmacology, 2017-04, Vol.8, p.205-205

2017

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Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors

Journal of enzyme inhibition and medicinal chemistry, 2018-01, Vol.33 (1), p.171-183

2018

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Charge transfer properties of Tröger base derivatives

Physical chemistry chemical physics : PCCP, 2011-12, Vol.13 (45), p.20076-20080

2011

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Species with negative electron affinity and standard DFT methods. Finding the valence anions

Physical chemistry chemical physics : PCCP, 2008-03, Vol.10 (10), p.1394-1399

2008

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Ab Initio Evaluation of Intramolecular Electron Transfer Reactions in Halobenzenes and Stabilized Derivatives

Journal of organic chemistry, 2003-11, Vol.68 (24), p.9191-9199

2003

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In search of the best DFT functional for dealing with organic anionic species

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (13), p.9189-9198

2017

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Detailed analysis of water structure in a solvent mediated electron tunneling mechanism

Journal of physics. Condensed matter, 2011-06, Vol.23 (24), p.245305-8

2011

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Uncovering the Mechanism Leading to the Synthesis of Symmetric and Asymmetric Tröger′s Bases

European journal of organic chemistry, 2019-12, Vol.2019 (47), p.7644-7655

2019

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Binding of modulators to mouse and human multidrug resistance P-glycoprotein. A computational study

Journal of molecular graphics & modelling, 2013-11, Vol.46, p.10-21

2013

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Gas-phase synthesis of 3-carboethoxy-quinolin-4-ones. A comprehensive computational mechanistic study to uncover the dark side of the Gould-Jacobs reaction

RSC advances, 2016-01, Vol.6 (87), p.83973-83981

2016

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Inter- and Intramolecular-Bridge-Mediated Electron Transfer in Aliphatic Halides

Journal of organic chemistry, 2006-08, Vol.71 (17), p.6596-6599

2006

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Microbial efflux systems and inhibitors: approaches to drug discovery and the challenge of clinical implementation

The open microbiology journal, 2013, Vol.7 (1), p.34-52

2013

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Thermal Ring‐Opening of Pyrazolo[3,4‐d][1,2,3]triazin‐4‐ones: An Experimental and Theoretical Study

European journal of organic chemistry, 2018-04, Vol.2018 (13), p.1514-1524

2018

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An experimental and theoretical study on the electrostatic effect of an appended cationic group on electronic properties of aromatic systems

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (45), p.5988-5996

2007

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Selective charge transfer in donor/acceptor systems bridged by Tröger base derivatives

Organic electronics, 2013-10, Vol.14 (10), p.2564-2572

2013

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Structure activity relationships and the binding mode of quinolinone-pyrimidine hybrids as reversal agents of multidrug resistance mediated by P-gp

Novel betulin derivatives as multidrug reversal agents targeting P-glycoprotein

Plant extracts and betulin from Ligaria cuneifolia inhibit P-glycoprotein function in leukemia cells

Inhibitory effects of compounds isolated from Lepechinia meyenii on tyrosinase

Molecular dynamics and structure function analysis show that substrate binding and specificity are major forces in the functional diversification of Eqolisins

Synthesis of new cyano‐substituted analogues of Tröger's bases from bromo‐derivatives. A stereochemical dependence of long‐range (nJHH, n = 4, 5, and 6) proton–proton and proton–carbon (nJCH, n = 1, 2, 3, 4, and 5) coupling constants of these compounds

Analogues of the Lignan Pinoresinol as Novel Lead Compounds for P‑glycoprotein (P-gp) Inhibitors

Experimental and theoretical studies on the enantioselectivity of molecularly imprinted polymers prepared with a chiral functional monomer

The thiophene α-terthienylmethanol isolated from Tagetes minuta inhibits angiogenesis by targeting protein kinase C isozymes α and β2

In search for an optimal methodology to calculate the valence electron affinities of temporary anions

Mechanism Underlying the Reversal of Drug Resistance in P-Glycoprotein-Expressing Leukemia Cells by Pinoresinol and the Study of a Derivative

Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors

Charge transfer properties of Tröger base derivatives

Species with negative electron affinity and standard DFT methods. Finding the valence anions

Ab Initio Evaluation of Intramolecular Electron Transfer Reactions in Halobenzenes and Stabilized Derivatives

In search of the best DFT functional for dealing with organic anionic species

Detailed analysis of water structure in a solvent mediated electron tunneling mechanism

Uncovering the Mechanism Leading to the Synthesis of Symmetric and Asymmetric Tröger′s Bases

Binding of modulators to mouse and human multidrug resistance P-glycoprotein. A computational study

Gas-phase synthesis of 3-carboethoxy-quinolin-4-ones. A comprehensive computational mechanistic study to uncover the dark side of the Gould-Jacobs reaction

Inter- and Intramolecular-Bridge-Mediated Electron Transfer in Aliphatic Halides

Microbial efflux systems and inhibitors: approaches to drug discovery and the challenge of clinical implementation

Thermal Ring‐Opening of Pyrazolo[3,4‐d][1,2,3]triazin‐4‐ones: An Experimental and Theoretical Study

An experimental and theoretical study on the electrostatic effect of an appended cationic group on electronic properties of aromatic systems

Selective charge transfer in donor/acceptor systems bridged by Tröger base derivatives

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