DrugDevCovid19

Tracking the relevant researches of CADD drug development against COVID-19

Glisoxepide

ID MW HBD HBA
32778  449.535
RB NOA Rings logP
101032.90

Function

DrugBank ID:

DB01289


Description:

Glisoxepide is one of the sulphonamide-derived oral antidiabetic drugs. It inhibits the uptake of bile acids into isolated rat hepatocytes. However it inhibits taurocholate uptake only in the absence of sodium ions. Glisoxepide uptake could be further inhibited by blockers of the hepatocellular monocarboxylate transporter, by the loop diuretic bumetanide, by 4,4'-diisothiocyano-2,2'-stilbenedisulfonate (DIDS) and by sulphate. These results are consistent with the transport of glisoxepide via the transport system for the unconjugated bile acid cholate. [DrugBank]

Targets:

ATP-sensitive inward rectifier potassium channel 8 (Humans) [DrugBank]

Pharmacodynamics:

Glisoxepide is a sulfonylurea agent. It stimulates beta cells of the islet of Langerhans in the pancreas to release insulin. It also enhances peripheral insulin sensitivity. Overall it potentiates insulin release and improves insulin dynamics. [DrugBank]

Structures

SMILES:

Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1

2D structures:  

3D structures:  

Docking in target protein

Receptor: nsp15

Docking Site: Catalytic pocket

Ligand: Glisoxepide

Vina score: -8.7

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for Glisoxepide: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Glisoxepide in the SMILES input box.

Step 2 - Blind docking for Glisoxepide: CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Glisoxepide to perform blind docking.