Computational Insight into Protein Tyrosine Phosphatase 1B Inhibition: A Case Study of the Combined Ligand- and Structure-Based Approach

Table 2

Summary of the pharmacophore models generated by HipHop for PTP1B inhibitors.

Hypothesis	Features	Rank	Direct hit	Partial hit	Max. fit
01	RNHHA	96.526	10111111	01000000	5
02	RHHAA	88.605	10111111	01000000	5
03	RNHHA	88.290	10111111	01000000	5
04	RRNAA	86.770	10111111	01000000	5
05	RNHA	85.881	11111111	00000000	4
06	RHHAA	85.819	10111111	01000000	5
07	RRHAA	85.193	10111111	01000000	5
08	RNHA	84.838	11111111	00000000	4
09	HHHAA	84.535	10111111	01000000	5
10	RHHAA	84.392	10111111	01000000	5
11	RNHA	83.968	11111111	00000000	4
12	RHHAA	83.877	10111111	01000000	5
13	RNHA	83.439	11111111	00000000	4
14	HHHAA	83.363	10111111	01000000	5
15	RHHAA	82.987	10111111	01000000	5