A Network Flow Approach to Predict Protein Targets and Flavonoid Backbones to Treat Respiratory Syncytial Virus Infection

Table 1

List of flavonoid compounds considered to chemical protein-protein network design. Chemical identification (Pubchem), Tanimoto similarity scores, and the antiviral activity of each compound (manually curated from literature).

Compound ID	Pubchem CID	Tanimoto similarity (score)	Antiviral RSV references
A^*
Resveratrol	445154	1	[22, 24, 26–29]
Piceatannol	667639	0.966	UD^***
AC1O4D7M	6365297	0.719	UD
Caffeic acid	689043	0.689	UD
Phenol	996	0.687	[30, 31]
HLF	5288545	0.684	UD
Sinapinate	637775	0.635	UD
Ferulic acid	445858	0.622	[32]
Isoferulic acid	736186	0.614	[32]
2MP	7249	0.621	UD
P-coumaric acid	637542	0.611	UD
B^**
Quercetin	5280343	1	[19, 25]
Myricetin	5281672	1	UD
ST059620	5281614	0.959	UD
Kaempferol	5280863	0.946	[25]
Tricetin	5281701	0.884	UD
Apigenin	5280443	0.823	[33]
Oroxylin A	5320315	0.791	[34]
Wogonin	5281703	0.765	[34]
Flavone	10680	0.714	[35]
EMD 21388	128600	0.636	UD
α-Naphthoflavone	11790	0.711	[34]
β-Naphthoflavone	2361	0.711	[35]
Rutin	5280805	0.631	UD
Genistein	5280961	0.618	[36]
DB07032	656936	0.612	UD

A^*Group with high similarity to resveratrol.
B^**Group with high similarity to quercetin.
UD^***Undescribed in the literature.