Table 7 Summary of molecular docking studies on compounds identified in the hydroethanolic extract of Solanum obtusifolium Dunal against α-amylase, α-glucosidase, lipase, and BSA proteins.

From: In vitro and in silico antiglycation antihyperglycemic and anti-inflammatory properties of chemically profiled fruit extracts of Solanum obtusifolium Dunal

Compounds

α-amylase

(PDB ID : 1B2Y)

α-glucosidase

(PDB ID:5NN8)

Lipase

(PDB ID: 1LPB)

BSA

(PDB ID: 4OR0)

Free Binding Energy (kcal/mol)

Inhibitor standard

-8.2

-7.2

-6.7

-7.8

Gallic acid

-5.7

-5.9

-5.8

-5.7

3-4-dihydroxybenzoic acid

-5.9

-6.0

-6.5

-0.3

Catechin

-7.9

-6.9

-7.4

-6.8

Caffeic acid

-5.7

-5.8

-5.9

-6.7

Acid syringic

-5.8

-5.7

-5.4

-5.7

P-comaric acid

-5.7

-6.7

-5.6

-6.5

Quercetin

-8.2

-7.0

-7.6

-7.9

Ursolic acid

-9.2

-8.3

-9.0

-8.3

  1. BSA: Bovine serum albumin.
  2. Acarbose (CID: 41774), Orlistat (CID: 3034010), and Warfarin (CID: 54678486).