Evaluating Andrographolide as a Potent Inhibitor of NS3-4A Protease and Its Drug-Resistant Mutants Using In Silico Approaches

Table 2

Comparison of the ADME values of ligands.

Name	Solubility level	Blood brain barrier level	Extension; CYP2D6	Extension; hepatotoxic	Extension; PPB
Andrographolide	2	3	−1.54262	−10.8965	16.7621
Asunaprevir	2	4	−9.92277	3.66033	24.0848

Note: solubility: 0–2: highly soluble, BBB: 1: high penetration, 2: medium penetration, and 3: low penetration, CYP2D6: −ve: noninhibitors and +ve: inhibition. HEPATOX: <1: nontoxic, PPB: the greater the value, the greater the binding capacity.