This section consists of a library of 25 AMPs, filtered from AMPs with both anti-Gram positive and anti-Gram negative activity, that have been evaluated for their ability to interact with the active site regions of Target 1 or the ‘biofilm-associated surface protein’ of Staphylococcus aureus and Target 37 or the ‘fimbrial subunit CupB6’ of Pseudomonas aeruginosa. Based on negative energy binding scores and binding energy differences in the range of ± 1 kcal/mol, AMPs were filtered to present a list of candidate AMPs for both biofilm targets. Based on the proposed candidate list, AMPs can be taken up for further in silico evaluation such as AMP-biofilm target dynamic interactions and MD simulations, as well as in vitro and in vivo evaluation against mixed-species P. aeruginosa and S. aureus biofilms. Each card for a particular AMP contains PDBQT and docking files, and model image which can be downloaded by clicking on the respective icons.
Protein-peptide docking studies were done using Autodock 4.2.
Each card in the search results is color-coded as per the activity exhibited by that peptide.