Research Article
Evaluating Andrographolide as a Potent Inhibitor of NS3-4A Protease and Its Drug-Resistant Mutants Using In Silico Approaches
Table 3
Comparison of the predicted TOPKAT values of ligands.
| | Name | NTP carcinogenicity call (male mouse) (v3.2) TOPKAT | NTP carcinogenicity call (female mouse) (v3.2) TOPKAT | Developmental toxicity potential (DTP) (v3.1) TOPKAT | Skin irritation (v6.1) TOPKAT | Ames mutagenicity (v3.1) TOPKAT |
| | Andrographolide | 0.00 | 0.00 | 0.00 | 1.00 | 1.00 | | Asunaprevir | 0.00 | 1.00 | 0.00 | 1.00 | 1.00 |
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Note: 0: negative result, 1: positive result.
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