Table 1 ADMET analysis of proanthocyanidin.

From: Proanthocyanidins inhibit CYP1B1 through mixed-type kinetics and stable binding in molecular dynamics simulations

Category

Property

Value

Interpretation

Absorption

Human intestinal absorption (HIA)

0.98 (High)

Good predicted intestinal absorption

Absorption

Caco-2 permeability

−6.76 (Low)

Low permeability may limit absorption

Distribution

Blood–brain barrier (BBB) penetration

0.013 (No)

Unlikely to cross blood–brain barrier

Metabolism

CYP3A4 inhibition

0.167 (No)

Low risk of CYP3A4 interaction

Toxicity

AMES toxicity

0.269 (No)

Non-mutagenic

Toxicity

Hepatotoxicity (DILI)

0.253 (Moderate)

Potential for liver injury

Drug-likeness

Lipinski rule of five

Violated (3 violations)

May affect oral bioavailability and drug-likeness