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Title: Pharmacophoric models of sodium channel antagonists
Keywords: sodium channels, pharmacophore, triazines, benzyloximes, BTX.
Issue Date: 12-Aug-2004
Citation: POON THONG YUEN (2004-08-12). Pharmacophoric models of sodium channel antagonists. ScholarBank@NUS Repository.
Abstract: A pharmacophoric model, which consists of one H-bond donor (D), one H-bond acceptor (A) and one hydrophobic group (H), was derived from five good neuronal (type II) sodium channel blockers. The A-H, A-D and D-H distances are 4.02 ??, 5.65 ??, and 3.27 ?? respectively.The model was validated and subsequently adapted into a screening process which identified the 4,6-diamino-1,2-dihydro-2,2-substituted-1-phenyl-1,3,5-triazines (phenyldihydro-1,3,5-triazines) as good sodium channel blockers while the benzyloximes were predicted to be weak blockers. Synthesis and testing of the compounds in the [3H]-batrachotoxin (BTX) assay verified the predictions. The most active compounds in the phenyldihydro-1,3,5-triazines series (compound 34) and benzyloxime series (compound 51) have IC50 values of 4.0 microM and 0.4 mM respectively. The phenyldihydro-1,3,5-triazines did not possess epileptic protection in the Maximal Electroshock (MES) assay but were found to have analgesic properties in the hot-plate assay, while the benzyloximes displayed epileptic protection in the MES assay, and one compound possesses slight analgesic properties.
Appears in Collections:Ph.D Theses (Open)

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