Page 83 - 73_03

MARIO A. GARCÍA Y COLS. AN. R. ACAD. NAC. FARM.

TABLE 2. Positive AM modulators and related compounds, that were used in the
computational study (cont.)

Series 1 Series 2 Series 3
compd n R’ compd
R n compd N

1c 8 o, p-diCl-

phenyl NH2 2l 6 3l 6
7 3m 7
1d 8 1-hydroxi-2- 8 3n 8

naphtyl NH2 2m

1e 8 2-hydroxi-1-

naphtyl NH2 2n

1f 8 p-Cl-phenyl NH-Ph

1g 8 o, p-diCl-

phenyl NH-Ph

1h 8 1-hydroxi-2-

naphtyl NH-Ph

1i 8 2-hydroxi-1-

naphtyl NH-Ph

1j 4 Ph CH2Ph
1k 5 Ph CH2Ph
1l 6 Ph CH2Ph
1m 7 Ph CH2Ph

1n 8 Ph CH2Ph

MATERIALS AND METHODS

Macromolecule Selection

The 3D superimposition of the eleven different models of the
1hov against 1ck7 and 1qib (see Table 3) was carried out using
Sybyl7.2 (23).

712