Fig 1.
Synthesis of Penicillin derivatives (4a-h).
Fig 2.
Chemical structure and three dimensional view of compounds 4c and 4e with highlighted green show the main penicillin nucleus and red show the designed moiety to increase the bioactivity.
Table 1.
Antibacterial activity result of penicillin derivatives (4a-h).
Table 2.
Hydrogen bonding between penicillin derivatives (4a-h) and receptor.
Fig 3.
The potential ligand-protein interactions of compound 4c with the active site of Penicillin binding protein (PDB ID 1CEF) generated by using Discovery Studio 4.0.
A) The three-dimensional docking of the compound 4c in the binding pocket. B) The two dimensional interactions of 4c with amino acid residues are shown as balls colored by the type of interaction.
Fig 4.
The potential ligand-protein interactions of compound 4e with the active site of Penicillin binding protein (PDB ID 1CEF) generated by using Discovery Studio 4.0.
A) The three-dimensional docking of the compound 4e in the binding pocket. B) The two dimensional interactions of 4e with amino acid residues are shown as balls colored by the type of interaction.
Table 3.
The binding Affinities of the penicillin derivatives (4a-h).
Table 4.
Lipinski’s Rule of Five screening data for penicillin derivatives (4a-h).