Abstract：With computer assistance, on the basis of the predecessors' work, and by using the bioisosterism theory. Pharmacophore models of β-secretase inhibitors was established by using Catalyst HypoGen program with a training set of 23 trisubstituted aromatic compounds. The best pharmacophore hypothesis, consisting of four features, one aromatic ring center, one aliphatic hydrophobic core, one hydrogen bonding acceptor and one hydrogen bond donor, suggesting that a highly predictive pharmacophore model was successfully obtained. This pharmacophore model will contribute to the design and synthesis of new type β-secretase inhibitors.
We,re using the Catalyst, and found a series of the compounds, then we arechoose four better compounds.And this is our target compounds. By the retrosynthetic analysis of the target compound, we design a rational synthetic way. Four compounds have been synthesized. All the compound were confirmed by 1HNMR and IR.
