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Table 3 ADMET properties of the top-two ligands

From: Bioinsecticidal activity of actinomycete secondary metabolites against the acetylcholinesterase of the legume’s insect pest Acyrthosiphon pisum: a computational study

 

BBB

Caco2

HIA

P-gp inhibitor

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Ames mutagenesis

Carcinogenicity

hERG_inhibition

H-HT

Diazepinomicin

No

Yes

Yes

Yes

No

No

No

No

No

No

No

No

Yes

Hygromycin

No

Yes

Yes

No

No

No

No

No

No

Yes

No

No

Yes

  1. BBB blood-brain barrier, HIA human intestinal absorption, Caco2, permeability assay, hERG human Ether-a-go-go-related gene potassium channel, H-HT human hepatotoxicity