(Q30379422)

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Docking studies of structurally diverse antimalarial drugs targeting PfATP6: no correlation between in silico binding affinity and in vitro antimalarial activity.

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scholarly article

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Europe PubMed Central

PubMed publication ID

21 June 2017

Docking studies of structurally diverse antimalarial drugs targeting PfATP6: no correlation between in silico binding affinity and in vitro antimalarial activity. (English)

1 reference

Europe PubMed Central

PubMed publication ID

21 June 2017

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Bernard Meunier

4

object named as

Bernard Meunier

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Europe PubMed Central

PubMed publication ID

21 June 2017

author name string

Fatima Bousejra-El Garah

1

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Europe PubMed Central

PubMed publication ID

21 June 2017

Jean-Luc Stigliani

2

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Europe PubMed Central

PubMed publication ID

21 June 2017

Frédéric Coslédan

3

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Europe PubMed Central

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21 June 2017

Anne Robert

5

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Europe PubMed Central

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21 June 2017

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publication date

1 September 2009

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Europe PubMed Central

PubMed publication ID

21 June 2017

1 reference

Europe PubMed Central

PubMed publication ID

21 June 2017

4

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Europe PubMed Central

PubMed publication ID

21 June 2017

9

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Europe PubMed Central

PubMed publication ID

21 June 2017

1469-1479

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Europe PubMed Central

PubMed publication ID

21 June 2017

Reaction of antimalarial endoperoxides with specific parasite proteins

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

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Quantitative assessment of antimalarial activity in vitro by a semiautomated microdilution technique

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

21 January 2018

Qinghaosu (artemisinin): an antimalarial drug from China

1 reference

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7 January 2021

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Qinghaosu (Artemisinin): The Price of Success

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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Averting a malaria disaster

1 reference

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7 January 2021

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Combination therapy for malaria: the way forward?

1 reference

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7 January 2021

based on heuristic

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Declining artesunate-mefloquine efficacy against falciparum malaria on the Cambodia-Thailand border

1 reference

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7 January 2021

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Mechanism-based design, synthesis, and in vitro antimalarial testing of new 4-methylated trioxanes structurally related to artemisinin: the importance of a carbon-centered radical for antimalarial activity

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Artemisinin (qinghaosu): the role of intracellular hemin in its mechanism of antimalarial action

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

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Characterization of the Alkylation Product of Heme by the Antimalarial Drug Artemisinin We are grateful to the CNRS for financial support, and to the French Ministery of Education for a PhD grant to J.C. Dr. Yannick Coppel (LCC-CNRS) is gratefully a

1 reference

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7 January 2021

based on heuristic

inferred from DOI database lookup

The antimalarial drug artemisinin alkylates heme in infected mice

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Correction for Robert et al., The antimalarial drug artemisinin alkylates heme in infected mice

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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Trioxaquines and heme-artemisinin adducts inhibit the in vitro formation of hemozoin better than chloroquine.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Artemisinins target the SERCA of Plasmodium falciparum

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Artemisinin and a Series of Novel Endoperoxide Antimalarials Exert Early Effects on Digestive Vacuole Morphology

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

A single amino acid residue can determine the sensitivity of SERCAs to artemisinins

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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Resistance of Plasmodium falciparum field isolates to in-vitro artemether and point mutations of the SERCA-type PfATPase6.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Malaria parasites can develop stable resistance to artemisinin but lack mutations in candidate genes atp6 (encoding the sarcoplasmic and endoplasmic reticulum Ca2+ ATPase), tctp, mdr1, and cg10.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Three-dimensional structure of Plasmodium falciparum Ca2+ -ATPase(PfATP6) and docking of artemisinin derivatives to PfATP6.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

On the molecular mechanism of chloroquine's antimalarial action

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

A common mechanism for blockade of heme polymerization by antimalarial quinolines

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structure of the calcium pump with a bound ATP analogue

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Thapsigargin, a tumor promoter, discharges intracellular Ca2+ stores by specific inhibition of the endoplasmic reticulum Ca2(+)-ATPase

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Structural changes in the calcium pump accompanying the dissociation of calcium

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular determinants of thapsigargin binding by SERCA Ca2+-ATPase: a computational docking study

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Clustal W and Clustal X version 2.0

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Comparative protein modelling by satisfaction of spatial restraints

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Modeling of loops in protein structures

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

PROCHECK: a program to check the stereochemical quality of protein structures

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

A semiempirical free energy force field with charge-based desolvation

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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The molecular basis for cyclopiazonic acid inhibition of the sarcoplasmic reticulum calcium pump

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Biological implication of conformational flexibility in ouabain: observations with two ouabain phosphate isomers.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Synthesis and antimalarial activity of trioxaquine derivatives

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Selection of a trioxaquine as an antimalarial drug candidate

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Identification of an antimalarial synthetic trioxolane drug development candidate

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Spiro- and dispiro-1,2-dioxolanes: contribution of iron(II)-mediated one-electron vs two-electron reduction to the activity of antimalarial peroxides

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Two-step synthesis of achiral dispiro-1,2,4,5-tetraoxanes with outstanding antimalarial activity, low toxicity, and high-stability profiles

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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Hybrid molecules with a dual mode of action: dream or reality?

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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Antimalarial activity of new water-soluble dihydroartemisinin derivatives. 2. Stereospecificity of the ether side chain

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

First assessment in humans of the safety, tolerability, pharmacokinetics, and ex vivo pharmacodynamic antimalarial activity of the new artemisinin derivative artemisone

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

The Fe2+-mediated decomposition, PfATP6 binding, and antimalarial activities of artemisone and other artemisinins: the unlikelihood of C-centered radicals as bioactive intermediates

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Semi-synthetic and synthetic 1,2,4-trioxaquines and 1,2,4-trioxolaquines: synthesis, preliminary SAR and comparison with acridine endoperoxide conjugates.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Mechanism of antimalarial action of the synthetic trioxolane RBX11160 (OZ277).

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Trioxaquines are new antimalarial agents active on all erythrocytic forms, including gametocytes

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

From mechanistic studies on artemisinin derivatives to new modular antimalarial drugs

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

The antimalarial trioxaquine DU1301 alkylates heme in malaria-infected mice.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Relationship between antimalarial activity and heme alkylation for spiro- and dispiro-1,2,4-trioxolane antimalarials

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Selective Fe2+-catalyzed oxidative cleavage of gastric H+,K+-ATPase: implications for the energy transduction mechanism of P-type cation pumps

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Fe2+ -catalyzed oxidative cleavages of Ca2+ -ATPase reveal novel features of its pumping mechanism.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

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based on heuristic

inferred from DOI database lookup

Human malaria parasites in continuous culture

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

Stereochemical quality of protein structure coordinates

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

inferred from DOI database lookup

VEGA: a versatile program to convert, handle and visualize molecular structure on Windows-based PCs.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

7 January 2021

based on heuristic

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1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900200

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1 reference

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12 September 2021

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10.1002/CMDC.200900200

1 reference

Europe PubMed Central

PubMed publication ID

21 June 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

21 June 2017

ResearchGate publication ID

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