Cumulative effects of exercise training and consumption of propolis on managing diabetic dyslipidemia in adult women: a single-blind, randomized, controlled trial with pre–post-intervention assessments

Table 3 Physicochemical properties, solubility, pharmacokinetics, drug-likeness, and medicinal chemistry properties of propolis effective bioactive compounds are predicted by the SwissADME database

No.	Bioactive compound name	SMILES	Physicochemical properties (TPSA)	Solubility	Pharmacokinetics			Druglikeness		Medicinal chemistry
No.	Bioactive compound name	SMILES	Physicochemical properties (TPSA)	Solubility	GI	BBB	Cytochrome P45 inhibitors	Lipinski	Bioavailability Score	PAINS	Brenk	Leadlikeness
1	Tectochrysin	COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O	59.67 Å²	Moderately soluble	High	Yes	Yes/no	Yes; 0 violation	0.55	0 alert	0 alert	No; 1 violation: XLOGP3 > 3.5
2	Galangin	C1 = CC = C(C = C1)C2 = C(C(= O)C3 = C(C = C(C = C3O2)O)O)O	90.90 Å²	Moderately soluble	High	No	Yes/no	Yes; 0 violation	0.55	0 alert	0 alert	Yes
3	Chrysin	C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O	70.67 Å²	Moderately soluble	High	Yes	Yes/no	Yes; 0 violation	0.55	0 alert	0 alert	No; 1 violation: XLOGP3 > 3.5
4	Kaempferol	C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	111.13 Å²	Soluble	High	No	Yes/no	Yes; 0 violation	0.55	0 alert	0 alert	Yes
5	Chalcone	C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2	17.07 Å²	Moderately soluble	High	Yes	Yes/no	Yes; 0 violation	0.55	0 alert	1 alert: michael_acceptor_1	No; 1 violation: MW < 250

ISSN: 1880-6562