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Open Access | Binding modes of 2,4-diaminoquinazoline and 2,4-diaminopteridine analogs to P. falciparum dihydrofolate reductase enzyme: Molecular docking studies

January 3, 2011 - 08:57 -- Kabogo Ndegwa
L Adane, PV Bharatam
Indian Journal of Pharmaceutical Sciences ,2010, Volume: 72. Issue: 3, Page: 324-333

A molecular docking study was carried out on 28 compounds belonging to 2,4-diaminoquinazoline and 2,4-diaminopteridine analogs using Glide, FlexX and GOLD programs and the X-ray crystallographic structures of the quadruple mutant (1J3K:pdb) and wild type (1J3I:pdb) Plasmodium falciparum dihydrofolate reductase enzyme.

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