Table 1 Docking score of the virtual library of C2-symmetric cyclic hexapeptides.
From: Combating virulence of Gram-negative bacilli by OmpA inhibition
Cyclic peptide | Docking score |
|---|---|
&Arg-D-Pro-Trp-Arg-D-Pro-Trp& | −10.8 |
&Trp-D-Pro-Arg-Trp-D-Pro-Arg& | −10.6 |
&Arg-Pro-Trp-Arg-Pro-Trp& | −10.3 |
&Trp-Pro-Arg-Trp-Pro-Arg& | −10.0 |
&Trp-Pro-D-Arg-Trp-Pro-D-Arg& | −9.2 |
&Arg-Pro-D-Trp-Arg-Pro-D-Trp& | −8.9 |
&Arg-D-Pro-D-Ile-Arg-D-Pro-D-Ile& | −8.5 |
& Trp- D-Pro-Arg-Trp-D-Pro-Arg& | −8.5 |
&Arg-D-Pro-Ile-Arg-D-Pro-Ile& | −8.2 |
&Ser-D-Pro-Trp-Ser-D-Pro-Trp& | −7.5 |
&Ser-D-Pro-D-Trp-Ser-D-Pro-D-Trp& | −7.4 |
&Ser-D-Pro-D-Ile-Ser-D-Pro-D-Ile& | −7.3 |
&Ser-D-Pro-Ile-Ser-D-Pro-Ile& | −7.2 |
&D-Ser-Pro-Ala-D-Ser-Pro-Ala& | −7.1 |
&Glu-D-Pro-Trp-Glu-D-Pro-Trp& | −7.0 |
&Ile-D-Pro-D-Trp-Ile-D-Pro-D-Trp& | −6.8 |
&Ser-D-Pro-Ala-Ser-D-Pro-Ala& | −6.8 |
&Ile-D-Pro-Trp-Ile-D-Pro-Trp& | −6.7 |
&D-Arg-Pro-Trp-D-Arg-Pro-Trp& | −6.1 |
&Ser-D-Pro-Glu-Ser-D-Pro-Glu& | −6.1 |
&Glu-D-Pro-D-Trp-Glu-D-Pro-D-Trp& | −6.1 |
&Ser-D-Pro-D-Glu-Ser-D-Pro-D-Glu& | −6.1 |
&Ser-Pro-Ala-Ser-Pro-Ala& | −5.6 |
&Glu-D-Pro-Ile-Glu-D-Pro-Ile& | −4.6 |
&Glu-D-Pro-D-Ile-Glu-D-Pro-D-Ile& | −4.4 |
&Gly-Pro-Ala-Gly-Pro-Ala& | −2.9 |
