TABLE 1.

Peptide sequences of the AOA-2 and its derivatives, and their docking score.

Peptides	Sequence	Rational	Docking score
AOA-2	&Trp-D-Pro-Arg-Trp-D-Pro-Arg&	Hit compound	−9.34
RW01	&Trp-(NH2) D-Pro-Arg-Trp-D-Pro-Arg&	Solubility improved	−9.51
RW02	&3Pal-D-Pro-Arg-3Pal-D-Pro-Arg&	Analogs of trytophan	−8.59
RW03	&2Nal-D-Pro-Arg-2Nal-D-Pro-Arg&	Analogs of trytophan	−9.02
RW06	&Trp-D-Pro-Dab-Trp-D-Pro-Dab&	Analogs of arginine	−9.39
RW07	&Trp-D-Pro-Lys-Trp-D-Pro-Lys&	Analogs of arginine	−8.71
RW08	&Arg-D-Pro-Trp-Trp-D-Pro-Arg&	Repositioning	−9.04
RW09	&Trp-D-Pro-Trp-Arg-D-Pro-Arg&	Repositioning	−9.18
RW10	&Tyr-D-Pro-Ala-Tyr-D-Pro-Ala&	Higher score	−9.90
RW11	&2Nal-D-Pro-Arg-3Pal-D-Pro-Arg&	Higher score	−9.68
RW13	&3Pal-D-Pro-Arg-Trp-D-Pro-Tyr&	Higher score	−9.92