Table 2.

Molecular docking scores of natural and FDA-approved PARP-1 inhibitors.

Sl No.	Drugs	Glide Score	Glide EvdW	Glide e Model	Glide ecoul	G rotatable bonds	XP Hbond
1	Ellagic acid	−11.024	−37.147	−81.446	−17.073	4	−4.443
2	Naringin	−10.793	−40.984	−80.325	−18.185	14	−1.859
3	Icogenin	−10.232	−36.886	−74.941	−24.513	23	−5.822
4	EGCG	−10.072	−49.769	−91.458	−17.546	12	−3.904
5	Silymarin	−10.051	−48.812	−85.121	−9.151	9	−2.683
6	Macranthoside B	−10.048	−42.519	−47.046	−10.721	25	−2.673
7	Curcumin	−8.839	−45.529	−80.529	−9.703	10	−3.32
8	Quercetin	−8.819	−31.717	−63.237	−14.093	6	−2.488
9	Poncirin	−8.789	−40.697	−74.371	−15.784	14	−2.4
10	Baicalein	−8.762	−34.268	−61.18	−13.675	4	−2.835
Molecular docking scores of FDA-approved PARP-1 inhibitors
1	Olaparib	−12.840	−53.005	−105.69	−13.940	6	−2.800
2	Talazoparib	−10.545	−40.674	−64.57	−8.531	2	−1.761
3	Niraparib	−7.911	−37.699	−76.205	−12.253	3	−1.89
4	Rucaparib	−6.678	−41.864	−60.681	−1.309	3	−0.554