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Table 5 ADMET properties of hit compounds from A. indica, C. glaucum, and M. indica

From: In silico studies of bioactive compounds from selected African plants with inhibitory activity against nitric oxide synthase and arginase implicated in asthma

Class Properties Cromolyn Sodium Catechin Crinamine Epicatechin Nimbandiol Nimbinene Kaempferol Nimbin Ellagic acid Lycorine Quercetin
Absorption BBB Yes No Yes No Yes Yes No Yes No Yes No
Caco-2 permeability No No Yes No No No No No No Yes No
GIA High High High High High High High High High High High
Pgp-inhibitor Yes No No No Yes Yes No Yes No No No
Pgp-substrate No No No Yes Yes Yes No Yes No No Yes
Distribution PPB 50.8% (Moderate) 112.0% (high) 86.7% (high) 112.0% (high) 85.1% (high) 76.0% (slightly high) 106.1% (high) 78.8% (slightly high) 99.3% (high) 78.5% (slightly high) 117.5% (high)
Sub-cellular localization Mitochondria Mitochondria Lysosomes Mitochondria Mitochondria Mitochondria Mitochondria Mitochondria Mitochondria Mitochondria Mitochondria
Metabolism CYP450 1A2 inhibition No No No No No No Yes No No Yes Yes
CYP450 3A4 inhibition No No No No No Yes Yes Yes No No Yes
CYP450 3A4 substrate No No Yes No Yes Yes Yes Yes No Yes No
CYP450 2C9 inhibition No No No No No No Yes No No No No
CYP450 2C9 substrate No No No No No No No No No No No
CYP450 2C19 inhibition No No No No No No Yes No No No No
CYP450 2D6 inhibition No No Yes No No No No No No Yes Yes
CYP450 2D6 substrate No Yes Yes Yes No No No No No Yes No
UGT catalyzed No Yes No Yes Yes No Yes No Yes Yes Yes
Toxicity Acute oral toxicity Class iii Class iv Class iii Class iv Class iii Class iii Class ii Class iii Class ii Class iii Class ii
hERG inhibitor No No No No Yes Yes No Yes No No No
Human hepatotoxicity Yes No No No Yes Yes Yes Yes Yes No No
Ames mutagenicity No Yes No Yes No No Yes No No Yes No
Carcinogens No No No No No No No No No No No
  1. BBB blood-brain barrier, GIA gastrointestinal absorption, PPB plasma protein binding, hERG human ether-a-go-go