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Exploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum Malaria
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Lead Discovery of Inhibitors of the Dihydrofolate Reductase Domain ofPlasmodium falciparumDihydrofolate Reductase-Thymidylate Synthase
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Modeling the inhibition of quadruple mutant Plasmodium falciparum dihydrofolate reductase by pyrimethamine derivatives
inferredcites →https://doi.org/10.1016/0014-4894(71)90074-9openalex-snapshot
Plasmodium knowlesi: In vitro evaluation of antimalarial activity of folic acid inhibitors
inferredcites →https://doi.org/10.1016/0166-6851(89)90126-6openalex-snapshot
De novo and salvage biosynthesis of pteroylpentaglutamates in the human malaria parasite, Plasmodium falciparum
inferredcites →https://doi.org/10.1016/j.bcp.2007.03.008openalex-snapshot
Artemisinin effectiveness in erythrocytes is reduced by heme and heme-containing proteins
inferredcites →https://doi.org/10.1016/j.jmb.2007.06.003openalex-snapshot
Affinity and Specificity of Protein U1A-RNA Complex Formation Based on an Additive Component Free Energy Model
inferredcites →https://doi.org/10.1016/j.molbiopara.2005.07.006openalex-snapshot
Toxoplasma gondii is capable of exogenous folate transport
inferredcites →https://doi.org/10.1016/j.molbiopara.2005.08.014openalex-snapshot
Identification of the optimal third generation antifolate against P. falciparum and P. vivax
inferredcites →https://doi.org/10.1016/s0166-6851(02)00240-2openalex-snapshot
Effect of N-terminal truncation of Plasmodium falciparum dihydrofolate reductase on dihydrofolate reductase and thymidylate synthase activity
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(02)00008-xopenalex-snapshot
Prediction of drug solubility from structure
inferredcites →https://doi.org/10.1016/s1286-4579(01)01525-8openalex-snapshot
Basis for antifolate action and resistance in malaria
inferredcites →https://doi.org/10.1017/s003118200400664xopenalex-snapshot
Malarial (Plasmodium falciparum) dihydrofolate reductase-thymidylate synthase: structural basis for antifolate resistance and development of effective inhibitors
inferredcites →https://doi.org/10.1021/bi701624uopenalex-snapshot
Probing the Role of Parasite-Specific, Distant Structural Regions on Communication and Catalysis in the Bifunctional Thymidylate Synthase−Dihydrofolate Reductase from Plasmodium falciparum
inferredcites →https://doi.org/10.1021/cc049953+openalex-snapshot
An Expedient and Facile One-Step Synthesis of a Biguanide Library by Microwave Irradiation Coupled with Simple Product Filtration. Inhibitors of Dihydrofolate Reductase
inferredcites →https://doi.org/10.1021/ci800004wopenalex-snapshot
MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization
inferredcites →https://doi.org/10.1021/jm030165topenalex-snapshot
Inhibitors of Multiple Mutants of Plasmodium falciparum Dihydrofolate Reductase and Their Antimalarial Activities
inferredcites →https://doi.org/10.1021/jm030781popenalex-snapshot
Docking and Database Screening Reveal New Classes ofPlasmodiumfalciparumDihydrofolate Reductase Inhibitors
inferredcites →https://doi.org/10.1021/jm060570vopenalex-snapshot
A 2.13 Å Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
inferredcites →https://doi.org/10.1021/jm970845uopenalex-snapshot
Rational Drug Design Approach for Overcoming Drug Resistance: Application to Pyrimethamine Resistance in Malaria
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1038/nchembio806openalex-snapshot
A clinical drug library screen identifies astemizole as an antimalarial agent
inferredcites →https://doi.org/10.1038/nsb921openalex-snapshot
Insights into antifolate resistance from malarial DHFR-TS structures
inferredcites →https://doi.org/10.1039/b211636gopenalex-snapshot
Pyrimethamine analogs as strong inhibitors of double and quadruple mutants of dihydrofolate reductase in human malaria parasites
inferredcites →https://doi.org/10.1046/j.1365-2958.1999.01437.xopenalex-snapshot
Utilization of exogenous folate in the human malaria parasite Plasmodium falciparum and its critical role in antifolate drug synergy
inferredcites →https://doi.org/10.1073/pnas.85.23.9114openalex-snapshot
Evidence that a point mutation in dihydrofolate reductase-thymidylate synthase confers resistance to pyrimethamine in falciparum malaria.
inferredcites →https://doi.org/10.1073/pnas.94.20.10931openalex-snapshot
Transformation with human dihydrofolate reductase renders malaria parasites insensitive to WR99210 but does not affect the intrinsic activity of proguanil
inferredcites →https://doi.org/10.1074/jbc.274.53.37781openalex-snapshot
Essential Protein-Protein Interactions between Plasmodium falciparum Thymidylate Synthase and Dihydrofolate Reductase Domains
inferredcites →https://doi.org/10.1080/00034983.1997.11813107openalex-snapshot
Effects of folic and folinic acids on the activities of cycloguanil and WR99210 againstPlasmodium falciparumin erythrocytic culture
inferredcites →https://doi.org/10.1093/jac/36.5.857openalex-snapshot
Conflicts of interest: the genesis of synthetic antimalarial agents in peace and war
inferredcites →https://doi.org/10.1107/s0108270188003841openalex-snapshot
Molecular structure of 1-(2-sulfoethyl)biguanide
inferredcites →https://doi.org/10.1107/s0108270188014246openalex-snapshot
Structure of metformin hydrochloride
inferredcites →https://doi.org/10.1107/s0907444904001544openalex-snapshot
Characterization, crystallization and preliminary X-ray analysis of bifunctional dihydrofolate reductase–thymidylate synthase from Plasmodium falciparum
inferredcites →https://doi.org/10.1111/j.1365-2958.2003.03915.xopenalex-snapshot
Transfection studies to explore essential folate metabolism and antifolate drug synergy in the human malaria parasite Plasmodium falciparum
inferredcites →https://doi.org/10.1126/science.1068274openalex-snapshot
Divergent Regulation of Dihydrofolate Reductase Between Malaria Parasite and Human Host
inferredcites →https://doi.org/10.1128/aac.01344-06openalex-snapshot
Antiplasmodial Activity of Aryltetralone Lignans from Holostylis reniformis
inferredcites →https://doi.org/10.1128/aac.16.6.710openalex-snapshot
Quantitative assessment of antimalarial activity in vitro by a semiautomated microdilution technique
inferredcites →https://doi.org/10.1128/cmr.15.3.355-364.2002openalex-snapshot
Cultivation of Plasmodium spp
inferredcites →https://doi.org/10.1172/jci33996openalex-snapshot
Malaria: progress, perils, and prospects for eradication
inferredcites →https://doi.org/10.1179/136485906x112185openalex-snapshot
The chequered history of malaria control: are new and better tools the ultimate answer?
inferredcites →https://doi.org/10.3184/003685002783238906openalex-snapshot
Resistance to Antifolates in Plasmodium Falciparum, the Causative Agent of Tropical Malaria
inferredcites →https://doi.org/10.4269/ajtmh.1999.60.943openalex-snapshot
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.
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