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Structure−Activity Relationship and Comparative Docking Studies for Cycloguanil Analogs as PfDHFR-TS Inhibitors
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.20246openalex-snapshot
New and fast statistical‐thermodynamic method for computation of protein‐ligand binding entropy substantially improves docking accuracy
inferredcites →https://doi.org/10.1002/jcc.20580openalex-snapshot
Role of binding entropy in the refinement of protein–ligand docking predictions: Analysis based on the use of 11 scoring functions
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Automated docking with grid‐based energy evaluation
inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot
Improved protein–ligand docking using GOLD
inferredcites →https://doi.org/10.1002/prot.20588openalex-snapshot
General and targeted statistical potentials for protein–ligand interactions
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
inferredcites →https://doi.org/10.1007/s10822-007-9152-9openalex-snapshot
Modeling the inhibition of quadruple mutant Plasmodium falciparum dihydrofolate reductase by pyrimethamine derivatives
inferredcites →https://doi.org/10.1016/0163-7258(90)90017-vopenalex-snapshot
The dihydrofolate reductase-thymidylate synthetase gene in the drug resistance of malaria parasites
inferredcites →https://doi.org/10.1016/b978-0-12-060307-7.50010-9openalex-snapshot
Development and Application of New Steric Substituent Parameters in Drug Design
inferredcites →https://doi.org/10.1016/j.biosystems.2007.10.005openalex-snapshot
QSAR using evolved neural networks for the inhibition of mutant PfDHFR by pyrimethamine derivatives
inferredcites →https://doi.org/10.1016/j.bmc.2006.06.041openalex-snapshot
3D-QSAR analysis of antimalarial farnesyltransferase inhibitors based on a 2,5-diaminobenzophenone scaffold
inferredcites →https://doi.org/10.1016/j.jmgm.2007.10.006openalex-snapshot
In silico screening against wild-type and mutant Plasmodium falciparum dihydrofolate reductase
inferredcites →https://doi.org/10.1016/s0022-2836(95)80037-9openalex-snapshot
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
inferredcites →https://doi.org/10.1016/s0301-4622(02)00077-7openalex-snapshot
Molecular modeling of wild-type and antifolate resistant mutant Plasmodium falciparum DHFR
inferredcites →https://doi.org/10.1016/s0925-4439(02)00088-1openalex-snapshot
Inhibitors of dihydrofolate reductase in leishmania and trypanosomes
inferredcites →https://doi.org/10.1016/s0968-0896(00)00248-0openalex-snapshot
Searching for allosteric effects via QSARs
inferredcites →https://doi.org/10.1016/s0968-0896(02)00344-9openalex-snapshot
Synthesis of Solution-Phase Combinatorial Library of 4,6-Diamino-1,2-dihydro-1,3,5-triazine and Identification of New Leads Against A16V+S108T Mutant Dihydrofolate Reductase of Plasmodium falciparum
inferredcites →https://doi.org/10.1016/s1359-6446(04)03308-2openalex-snapshot
Targeting DHFR in parasitic protozoa
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/jm00006a016openalex-snapshot
Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines
inferredcites →https://doi.org/10.1021/jm0009181openalex-snapshot
Development of a Lead Inhibitor for the A16V+S108T Mutant of Dihydrofolate Reductase from the Cycloguanil-Resistant Strain (T9/94) of Plasmodium falciparum†
inferredcites →https://doi.org/10.1021/jm00368a006openalex-snapshot
Crystallography, quantitative structure-activity relationships, (QSAR) and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazines
inferredcites →https://doi.org/10.1021/jm00368a007openalex-snapshot
Inhibition of human dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazines. A quantitative structure-activity relationship analysis
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/jm0302997openalex-snapshot
Evaluation of Docking Performance: Comparative Data on Docking Algorithms
inferredcites →https://doi.org/10.1021/jm0306430openalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
inferredcites →https://doi.org/10.1021/jm030644sopenalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
inferredcites →https://doi.org/10.1021/jm040769copenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analysis of a Set ofPlasmodium falciparumDihydrofolate Reductase Inhibitors Using a Pharmacophore Generation Approach
inferredcites →https://doi.org/10.1021/jm051197eopenalex-snapshot
MolDock: A New Technique for High-Accuracy Molecular Docking
inferredcites →https://doi.org/10.1021/jm980536jopenalex-snapshot
A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach
inferredcites →https://doi.org/10.1023/a:1007996124545openalex-snapshot
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
inferredcites →https://doi.org/10.1023/a:1011152818340openalex-snapshot
A search for sources of drug resistance by the 4D-QSAR analysis of a set of antimalarial dihydrofolate reductase inhibitors
inferredcites →https://doi.org/10.1038/nature01097openalex-snapshot
Genome sequence of the human malaria parasite Plasmodium falciparum
inferredcites →https://doi.org/10.1038/nature01107openalex-snapshot
A proteomic view of the Plasmodium falciparum life cycle
inferredcites →https://doi.org/10.1038/nature03342openalex-snapshot
The global distribution of clinical episodes of Plasmodium falciparum malaria
inferredcites →https://doi.org/10.1038/nsb921openalex-snapshot
Insights into antifolate resistance from malarial DHFR-TS structures
inferredcites →https://doi.org/10.1073/pnas.0501747102openalex-snapshot
Crystal structure of dihydrofolate reductase from Plasmodium vivax : Pyrimethamine displacement linked with mutation-induced resistance
inferredcites →https://doi.org/10.1073/pnas.0802982105openalex-snapshot
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen
inferredcites →https://doi.org/10.1124/pr.57.1.4openalex-snapshot
Mechanisms of Resistance of Malaria Parasites to Antifolates
inferredcites →https://doi.org/10.2174/092986708784911551openalex-snapshot
Modelling and Informatics in the Analysis of P. falciparum DHFR Enzyme Inhibitors
inferredcites →https://doi.org/10.3390/91201100openalex-snapshot
Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”: Application to QSPR/QSAR Studies of Organic Compounds
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Antimalarial evaluation and docking studies of hybrid phenylthiazolyl-1,3,5-triazine derivatives: A novel and potential antifolate lead for Pf-DHFR-TS inhibition
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A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized trees
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Theoretical Insights into the Anti-SARS-CoV‑2 Activity of Chloroquine and Its Analogs and In Silico Screening of Main Protease Inhibitors
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Assessing Molecular Docking Tools for Relative Biological Activity Prediction: A Case Study of Triazole HIV-1 NNRTIs
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Discovery of a New Class of Natural Product-Inspired Quinazolinone Hybrid as Potent Antileishmanial agents
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Antimalarial activity and docking studies of novel bi-functional hybrids derived from 4-aminoquinoline and 1,3,5-triazine against wild and mutant malaria parasites as pf-DHFR inhibitor
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Origins of the specificity of inhibitor P218 toward wild-type and mutantPfDHFR: a molecular dynamics analysis
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Quantitative structure-activity relationships for cycloguanil analogs as PfDHFR inhibitors using mathematical molecular descriptors
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Prioritization of active antimalarials using structural interaction profile ofPlasmodium falciparumenoyl-acyl carrier protein reductase (PfENR)-triclosan derivatives
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QSAR for the characterization of drug resistance: Differential QSAR (DiffQSAR) using mathematical chemodescriptors
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