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SAR and QSAR in Environmental Research Volume 21, 2010 - Issue 3-4
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Original Articles

Quantitative structure-activity relationships for cycloguanil analogs as PfDHFR inhibitors using mathematical molecular descriptors

S.C. Basak Center for Water and the Environment, Natural Resources Research Institute, University of Minnesota Duluth, Duluth, USACorrespondence[email protected]
&
D. Mills Center for Water and the Environment, Natural Resources Research Institute, University of Minnesota Duluth, Duluth, USA
Pages 215-229 | Received 13 Nov 2009, Accepted 21 Feb 2010, Published online: 08 Jun 2010

Citations (9)

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Read on this site (4)

P.M. Khan & K. Roy. (2019) Consensus QSPR modelling for the prediction of cellular response and fibrinogen adsorption to the surface of polymeric biomaterials. SAR and QSAR in Environmental Research 30:5, pages 363-382.
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K. Inthajak, P. Toochinda & L. Lawtrakul. (2018) Application of molecular docking and PSO–SVR intelligent approaches in antimalarial activity prediction of enantiomeric cycloguanil analogues. SAR and QSAR in Environmental Research 29:12, pages 957-974.
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Sheenu Abbat, Vaibhav Jain & Prasad V. Bharatam. (2015) Origins of the specificity of inhibitor P218 toward wild-type and mutant PfDHFR: a molecular dynamics analysis. Journal of Biomolecular Structure and Dynamics 33:9, pages 1913-1928.
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J.H. Wang, Q.Q. Hou, K. Tang, X.L. Cheng, L.H. Dong, Y.J. Liu & C.B. Liu. (2011) Receptor-based QSAR study for a series of 3,3-disubstituted-5-aryl oxindoles and 6-aryl benzimidazol-2-ones derivatives as progesterone receptor inhibitors. SAR and QSAR in Environmental Research 22:7-8, pages 775-799.
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Articles from other publishers (5)

Ayesha Aktar Khanam Choudhury, Sathishkumar Vinayagam, Nayana Adhikari, Ashmita Saha, Surajit Kumar Ghosh, Hans Raj Bhat & Saurav Jyoti Patgiri. (2023) Hybrid PABA ‐glutamic acid conjugated 1,3,5‐triazine derivatives: Design, synthesis, and antimalarial activity screening targeting Plasmodium falciparum dihydro folate reductase enzyme . Chemical Biology & Drug Design 102:6, pages 1336-1352.
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Sheenu Abbat, Chaitanya K. Jaladanki & Prasad V. Bharatam. (2019) Exploring PfDHFR reaction surface: A combined molecular dynamics and QM/MM analysis. Journal of Molecular Graphics and Modelling 87, pages 76-88.
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Cholwich Nattee, Nirattaya Khamsemanan, Luckhana Lawtrakul, Pisanu Toochinda & Supa Hannongbua. (2017) A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized trees. Journal of Molecular Graphics and Modelling 71, pages 13-27.
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Bharath Srinivasan, Sam Tonddast-Navaei & Jeffrey Skolnick. (2015) Ligand binding studies, preliminary structure–activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase. European Journal of Medicinal Chemistry 103, pages 600-614.
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Subhash C. Basak, Denise Mills & Douglas M. Hawkins. (2011) Characterization of Dihydrofolate Reductases from Multiple Strains of Plasmodium falciparum Using Mathematical Descriptors of Their Inhibitors . Chemistry & Biodiversity 8:3, pages 440-453.
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