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- W2044458676 abstract "Abstract A three-dimensional quantitative structure–activity relationship (3D-QSAR) study was performed on 1,3,5-triazine derivatives which were based on Ala16Val + Ser108Thr mutant DHFR inhibitors of Plasmodium falciparum clone (FCR-3). Comparative Molecular Field Analysis (CoMFA) was carried out for designing novel PfDHFR enzyme inhibitors. It is shown that the steric and electrostatic properties by CoMFA contours can be related to the PfDHFR inhibitory activity. Glide-XP of Schrodinger was used for docking of PfDHFR inhibitors into the putative binding sites of the PfDHFR." @default.
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- W2044458676 date "2014-06-01" @default.
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- W2044458676 title "CoMFA and docking study of 2,N6-disubstituted 1,2-dihydro-1,3,5-triazine-4,6-diamines as novel PfDHFR enzyme inhibitors for antimalarial activity" @default.
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