In-silico and in-vitro study of novel antimicrobial peptide AM1 from Aegle marmelos against drug-resistant Staphylococcus aureus.

ABSTRACT: Antimicrobial peptides have garnered increasing attention as potential alternatives due to their broad-spectrum antimicrobial activity and low propensity for developing resistance. This is for the first time; proteome sequences of Aegle marmelos were subjected to in-silico digestion and AMP prediction were performed using DBAASP server. After screening the peptides on the basis of different physiochemical property, peptide sequence GKEAATKAIKEWGQPKSKITH (AM1) shows the maximum binding affinity with - 10.2 Kcal/mol in comparison with the standard drug (Trimethoprim) with - 7.4 kcal/mol and - 6.8 Kcal/mol for DHFR and SaTrmK enzyme respectively. Molecular dynamics simulation performed for 300ns, it has been found that peptide was able to stabilize the protein more effectively, analysed by RM

SUBMITTER: Awdhesh Kumar Mishra R 

PROVIDER: S-EPMC11519352 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature