Development of White Cabbage, Coffee, and Red Onion Extracts as Natural Phosphodiesterase-4B (PDE4B) Inhibitors for Cognitive Dysfunction: In Vitro and In Silico Studies

Table 2

The list of 28 compounds, their structures (along with rolipram, as standard), free bind energies ( [kcal/mol]), and pIC₅₀ values.

Sr. no.	Compounds	(kcal/mol)	pIC50
1		−38.007	25.46
2		−29.557	10.9
3		−25.637	8.23
4		−25.318	7.78
5		−24.354	6.44
6		−24.036	5.99
7		−23.865	5.7
8		−23.789	5.6
9		−22.801	4.27
10		−21.833	2.93
11		−21.501	2.5
12		−21.479	2.43
13		−21.169	2
14		−20.423	0.96
15		−19.686	−0.06
16		−18.621	−1.55
17		−17.410	−3.24
18		−17.287	−3.41
19		−17.271	−3.43
20		−17.252	−3.45
21		−16.574	−4.4
22		−16.461	−4.56
23		−15.621	−7.53
24		−14.850	−6.8
25		−14.099	−7.85
26		−13.874	−8.16
27		−11.439	−11.55
28		−10.316	−13.12

 = free bind energy; kcal/mol = kilocalorie/molar; IC₅₀ = half-maximal inhibitory concentration; pIC50 = −log(IC₅₀ (M)).