DrugDevCovid19

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

Paromomycin

ID MW HBD HBA
165580  615.6138
RB NOA Rings logP
17194-8.73

Function

DrugBank ID:

DB01421


Description:

An oligosaccharide antibiotic produced by various streptomyces. [PubChem] [DrugBank]

Targets:

30S ribosomal protein S10 (Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)); 16S ribosomal RNA (Enteric bacteria and other eubacteria) [DrugBank]

Pharmacodynamics:

Paromomycin is a broad spectrum aminoglycoside antibiotic produced by Streptomyces rimosus var. paromomycinus. The in vitro and in vivo antibacterial action of paromomycin closely parallels that of neomycin. [DrugBank]

Structures

SMILES:

NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

2D structures:  

3D structures:  

Docking in target protein

Receptor: S-glycoprotein

Docking Site: PPI surface (ACE2:S-glycoprotein)

Ligand: Paromomycin

Vina score: -5.5

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

Step 1 - Target prediction for Paromomycin: SwissTargetPrediction

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

Step 2 - Blind docking for Paromomycin: 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 Paromomycin to perform blind docking.