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Table 9 Prediction of the drug likeness for curcumin, trans-resveratrol, quercetin and (1 s,4 s)-eucalyptol. Five rule-based filters and the bioavailability score were used

From: Interactions of selected cardiovascular active natural compounds with CXCR4 and CXCR7 receptors: a molecular docking, molecular dynamics, and pharmacokinetic/toxicity prediction study

 

Curcumin

Trans-resveratrol

Quercetin

(1 s,4 s)-Eucalyptol

Lipinski rule

Yes; 0 violation

Yes; 0 violation

Yes; 0 violation

Yes; 0 violation

Ghose rule

Yes

Yes

Yes

No; 1 violation: MW < 160

Veber rule

Yes

Yes

Yes

Yes

Egan rule

Yes

Yes

Yes

Yes

Muegge rule

Yes

Yes

Yes

No; 2 violations: MW < 200, Heteroatoms< 2

Bioavailability Score

0.55

0.55

0.55

0.55