DrugDevCovid19

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

Cefpiramide (CPM)

ID MW HBD HBA
636405  612.6510
RB NOA Rings logP
131551.15

Function

DrugBank ID:

DB00430


Description:

Cefpiramide is a third-generation cephalosporin antibiotic. [DrugBank]

Targets:

Peptidoglycan synthase FtsI (Escherichia coli (strain K12)); Penicillin-binding protein 1B (Escherichia coli (strain K12)); Penicillin-binding protein 1A (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)); Penicillin-binding protein 1B (Pseudomonas aeruginosa); D-alanyl-D-alanine carboxypeptidase DacC (Escherichia coli (strain K12)); Penicillin-binding protein 1A (Escherichia coli (strain K12)); Penicillin binding protein 2a (Staphylococcus aureus) [DrugBank]

Pharmacodynamics:

Cefpiramide is a cephalosporin active against Pseudomonas aeruginosa. It has a broad spectrum of antibacterial activity. Cefpiramide works by inhibiting bacterial cell wall biosynthesis. The plasma half-lives of cefpiramide in rabbits, dogs, and rhesus monkeys were much longer than those of cefoperazone and cefazolin. [DrugBank]

Structures

SMILES:

Cc1cc(=O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)c[nH]1

2D structures:  

3D structures:  

Docking in target protein

Receptor: ACE2

Docking Site: Catalytic pocket

Ligand: Cefpiramide (CPM)

Vina score: -10.6

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

Step 1 - Target prediction for Cefpiramide (CPM): SwissTargetPrediction

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

Step 2 - Blind docking for Cefpiramide (CPM): 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 Cefpiramide (CPM) to perform blind docking.