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Table 4 The mutagenicity and carcinogenicity prediction of the best ten and two standard ligands

From: Flexible docking-based molecular dynamics simulation of natural product compounds and Ebola virus Nucleocapsid (EBOV NP): a computational approach to discover new drug for combating Ebola

No

ZINC ID

Negative for genotoxic carcinogenicity

Negative for nongenotoxic carcinogenicity

Potential Salmonella typhimurium TA100 mutagen based on QSAR

Potential carcinogen based on QSAR

1

ZINC14262121

Yes

No

No

No

2

ZINC56874155

No

No

No

No

3

ZINC85596639

Yes

Yes

No

No

4

ZINC504747685

Yes

Yes

No

No

5

ZINC85628951

Yes

Yes

No

No

6

ZINC85570811

Yes

No

No

No

7

ZINC5431307

Yes

Yes

No

No

8

ZINC24986227

Yes

Yes

No

No

9

ZINC85569343

Yes

Yes

No

No

10

ZINC85837484

Yes

No

No

No

S1

Licochalcone A

No

Yes

No

No

S2

18β-Glycyrrhetinic Acid

No

Yes

No

No