Exploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum Malaria - Wikidata - awgldk - TriplyDB

Exploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum Malaria

Exploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum Malaria

http://www.wikidata.org/entity/Q27653434

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The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations Antifolate agents: a patent review (2006 - 2010).Binding modes of 2,4-diaminoquinazoline and 2,4-diaminopteridine analogs to P. falciparum dihydrofolate reductase enzyme: Molecular docking studies.A chemical genomic analysis of decoquinate, a Plasmodium falciparum cytochrome b inhibitor Purine and pyrimidine pathways as targets in Plasmodium falciparum.A marriage of two "Methusalem" drugs for the treatment of psoriasis?: Arguments for a pilot trial with metformin as add-on for methotrexate.Antimalarial drugs: modes of action and mechanisms of parasite resistance.Winning the arms race by improving drug discovery against mutating targets.A Structural Basis for Biguanide Activity.Identification of novel Interleukin-2 inhibitors through computational approaches.Understanding the molecular mechanism of substrate channeling and domain communication in protozoal bifunctional TS-DHFR.An RNAi-based high-throughput screening assay to identify small molecule inhibitors of hepatitis B virus replication.3D-QSAR Studies on Barbituric Acid Derivatives as Urease Inhibitors and the Effect of Charges on the Quality of a Model.A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors.Synthesis and biological evaluation of biguanide and dihydrotriazine derivatives as potential inhibitors of dihydrofolate reductase of opportunistic microorganisms.Importance of cytochromes in cyclization reactions: quantum chemical study on a model reaction of proguanil to cycloguanil.Origins of the specificity of inhibitor P218 toward wild-type and mutant PfDHFR: a molecular dynamics analysis.A systematic and prospectively validated approach for identifying synergistic drug combinations against malaria.Molecular dynamics of interactions between rigid and flexible antifolates and dihydrofolate reductase from pyrimethamine-sensitive and pyrimethamine-resistant Plasmodium falciparum.

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P2860

Exploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum Malaria

http://www.wikidata.org/entity/Q27653434

description

2009 nî lūn-bûn

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2009 թուականի Յունուարին հրատարակուած գիտական յօդուած

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2009 թվականի հունվարին հրատարակված գիտական հոդված

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2009年の論文

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2009年論文

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2009年論文

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2009年論文

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2009年論文

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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ACS Chemical Biology

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Exploiting Structural Analysis ...... g-Resistant Falciparum Malaria

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Cherdsak Maneeruttanarungroj

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Julian Tirado-Rives

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Karen S Anderson

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Penchit Chitnumsub

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Sara E Nichols

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Theresa M Lyons

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Tina Dasgupta

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Yongyuth Yuthavong

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P2860

Cultivation of plasmodium spp.

Insights into antifolate resistance from malarial DHFR-TS structures

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Evidence that a point mutation in dihydrofolate reductase-thymidylate synthase confers resistance to pyrimethamine in falciparum malaria.

The antimalarial triazine WR99210 and the prodrug PS-15: folate reversal of in vitro activity against Plasmodium falciparum and a non-antifolate mode of action of the prodrug

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

Transformation with human dihydrofolate reductase renders malaria parasites insensitive to WR99210 but does not affect the intrinsic activity of proguanil

Prediction of drug solubility from structure.

An expedient and facile one-step synthesis of a biguanide library by microwave irradiation coupled with simple product filtration. Inhibitors of dihydrofolate reductase.

Virtual screening of chemical libraries.

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29-40

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scholarly article

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1967926

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10.1021/CB8002804

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1

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4

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William L. Jorgensen

Sumalee Kamchonwongpaisan

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2009-01-16T00:00:00Z

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23790530

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19146480

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Plasmodium falciparum

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2711878

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