Platelet Aggregation Pathway Network-Based Approach for Evaluating Compounds Efficacy

Table 1

Nineteen target proteins in pathway network of platelet aggregation.

Protein name	Uniprot	PDB	Ligand^b	Score^c
Adenylate cyclase	O60266	1AB8	1AB8	6.38
Glycoprotein IIb/IIIa complex	P05106	2VDM	2VDM	5.29
Inositol 1,4,5-trisphosphate receptor	Q14643	1N4K	1N4K	9.14
P2X purinoceptor 1	P51575	4DW1	4DW1	5.20
P2Y purinoceptor 1	P47900	1Y36	AMP	5.38
P2Y purinoceptor 12	Q9H244	1T78	AMP	3.84
Proteinase-activated receptor 1	P25116	Model^a	F16357	5.38
Proteinase-activated receptor 4	Q96RI0	Model^a	YD3	4.28
phosphatidylinositol 3-kinase	P48736	4FUL	4FUL	6.78
RAC-alpha serine/threonine-protein kinase	P31751	3D0E	3D0E	5.39
Protein kinase C	P17252	3IW4	3IW4	6.89
Phospholipase A2	P14555	1J1A	1J1A	5.22
Phosphoinositide phospholipase C beta-2	Q00722	2ZKM	U73122	5.62
Phosphoinositide phospholipase C gamma-2	P16885	2W2W	U73122	5.00
Prostaglandin G/H synthase 1	P23219	3N8X	3N8X	5.05
Ras-related protein	Q9H0U4	3NKV	3NKV	5.30
Thrombin	P00734	3DUX	3DUX	5.02
Thromboxane A2 receptor alpha	P21731	1LBN	SQ29548	7.90
Thromboxane A2 receptor beta	P21731	1LBN	SQ29548	7.90

^aThe structures of targets PAR1 and PAR4 were prepared by homology modeling based on crystal structure of bovine rhodopsin (PDB entry: 1U19).
^bIf the ligand was equal to the PDB entry, the structure was a ligand-protein complex; otherwise the reference ligand was a known inhibitor.
^cDocking score of reference ligand for each target protein.