- Scientist
- "K. KranthiRajaVeeramachaneniGanesh KumarbChalasaniLeela MadhuribMathiPardhasaradhibRavulapatiDurga LakshmicM.RavidB.Sri RamuduaS.V.Venkata RaoeD.Ramachandrana "
- Protein
- Staphylococcus aureus sortase A
- Ligand
- KKR1, KKR2 , Ampicillin
- Simulation Duration
- InChIKey
- AVKUERGKIZMTKX-NJBDSQKTSA-N
- SMILES
- CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C
- Molecular Formula
- C16H19N3O4S
- Protein Details
- Staphylococcus aureus sortase, an enzyme that anchors surface proteins to the cell wall
- Ligand Details
- A mixture of appropriate indole-3-aldehyde (5.0 mmol), thiazolidine-2,4-dione (5.0 mmol), catalytic amount of sodium acetate (10 mg) and acetic acid (25 mL) were refluxed for 2 h at 100 °C. At the end of this period, the reaction mixture was cooled to room temperature; the separated solid was collected by filtration, washed with water (5 mL) and dried to obtain crude KKR1 and KKR2. The latter, were recrystallized from EtOH to get pure KKR1 and KKRAmpicillin is a penicillin antibiotic that is used to treat or prevent many different types of infections such as bladder infections, pneumonia, gonorrhea, meningitis, or infections of the stomach or intestine
