Structure activity relationship (SAR) and quantitative structure activity relationship (QSAR) studies showed plant flavonoids as potential inhibitors of dengue NS2B-NS3 protease

Table 1 Selected flavonoid molecules downloaded from chebi (http://www.ebi.ac.uk/chebi/), shown higher docking score

Flavonoid No.	Chebi ID	Name	Plant Sources	Docking Score (Kcal/mol)
1	66,287	quercetin 3-O-(2″,3″-digalloyl)-β-D-galactopyranoside	Euphorbia lunulata	− 26.101
2	66,284	quercetin 3-O-α-(6″‘-caffeoylglucosyl-β-1,2-rhamnoside)	Sedum sarmentosum	−24.987
3	9047	schaftoside	Passiflora tripartita	−23.399
4	18,152	myricetin	Myrica rubra	−21.987
5	17,730	quercetin 3-sulfate	Anethum graveolens	−20.989
6	28,709	eriocitrin	Citrus lumia	−20.693
6	28,709	eriocitrin	Cyclopia subternata	−20.693
7	65,602	catiguanin B	Trichilia catigua	−20.414
8	68,348	4′,5,7-trihydroxy-3-methoxyflavone-7-O-α-L-arabinofuranosyl(1 → 6)-β-D-glucopyranoside	Lepisorus contortus	−20.378
9	61,282	wogonin 7-O-β-D-glucuronide	Scutellaria baicalensis	−20.102
10	9143	silychristin	Silybum marianum	−20.085

ISSN: 1472-6807