Skip to main content

Table 1 The list of identified compounds from SwissSimilarity and PubChem structure similarity accompanied by their anti-oxidant, anti-inflammatory, and related skin disorders

From: A hybrid systems biology and systems pharmacology investigation of Zingerone’s effects on reconstructed human epidermal tissues

Item

Compound

Similarity

Status

Antioxidant

Anti-inflammatory

Skin disorders

1

Nabumetone

0.81

FDA approved

[62]

[63]

Skin injury [64]

2

Masoprocol

0.6721

FDA approved

[65]

[65]

Sun damage (actinic keratosis) [66]

3

Matairesinol

0.8152

Experimental

[67]

[68]

Skin aging [69]

4

3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (Phloretin)

0.7262

Experimental

[70]

[70]

Skin damage [71, 72]

5

6-Shogaol

 > 0.953

Zingiber constituents

[73, 74]

[73, 74]

Skin aging [75]

6

6-Paradol

 > 0.953

Zingiber constituents

[76, 77]

[77]

Skin cancer [76]

7

6-Gingerol

 > 0.923

Zingiber constituents

[74]

[74]

Skin aging and damage [75, 78]

  1. 1The obtained results are from SwissSimilarity through performing ligand-based virtual screening of combined FDA approved drugs (n = 1516) of small molecules (> 50%)
  2. 2The obtained results are from SwissSimilarity through performing ligand-based virtual screening of combined experimental drugs (n = 4788) of small molecules (> 50%)
  3. 3The obtained results are from PubChem structure similarity through Tanimoto threshold of 95% and 92%