3D-QSAR analysis of cycloguanil derivatives as inhibitors of A16V+S108T mutant Plasmodium falciparum dihydrofolate reductase enzyme
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy
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1. Key interactions of pyrimethamine derivatives specific to wild-type and mutant P. falciparum dihydrofolate reductase based on 3D-QSAR, MD simulations and quantum chemical calculations;Journal of Biomolecular Structure and Dynamics;2022-07-09
2. Design, synthesis and biological evaluation of 4-aminoquinoline-guanylthiourea derivatives as antimalarial agents;Bioorganic Chemistry;2019-10
3. Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of PfDHFR inhibitors;Journal of Biomolecular Structure and Dynamics;2019-01-16
4. Application of molecular docking and PSO–SVR intelligent approaches in antimalarial activity prediction of enantiomeric cycloguanil analogues;SAR and QSAR in Environmental Research;2018-11-01
5. Guanylthiourea derivatives as potential antimalarial agents: Synthesis, in vivo and molecular modelling studies;European Journal of Medicinal Chemistry;2017-07
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