In Silico Analysis of Anti-Microbial Peptides on HER۲ Protein in Breast Cancer

Backgrounds: HER۲ (Human epidermal growth factor receptor ۲) is a member of the humanepidermal growth factor receptor (HER/EGFR-/ERBB) family. Amplification or over-expressionof this oncogene has been known to have a key role in the development and progression ofcertain destructive kinds of breast cancer. Hence, there is a necessity to search and design noveldrugs, which potentially serve as novel leads for breast cancer by inhibiting the upregulatedHER۲ signal pathway. Anti-microbial peptides (AMPs) are a group of small peptides that widelyexist in nature. AMPs are small cationic or amphipathic molecules produced by eukaryotic andprokaryotic organisms which against types of cancers.Materials and Methods: RCSB PDB database, PhytAMP, StraPep, HADDOCK ۲.۲, AlgPred,hemopred, toxinpred, TargetAntiAngio, and ACPred, UCSF Chimera software version ۱.۱۵,SWISS-MODEL modeling tools, BIOVIA Discovery Studio Visualizer ۳.۰ were used to obtaininformation about peptides.Results: Based on our analysis, the Bacteriocin lactococcin-G subunit beta from Lactococcuslactis subsp. lactis peptide had the best affinity to HER۲ compared to ۳۰۰ peptides and thebinding energy of this interaction was equal to -۱۹۰.۵ +/- ۴.۴ kcal/mol. The sequence of wild-۲JPK had side effects. Consequently, by mutation, side effects were eliminated.Conclusion: Based on research, drugs being investigated for breast cancer have side effects. Forinstance, Abemaciclib has side effects such as nausea, vomiting, stomach pain, constipation,sores on the lips, and others. Therefore, AMPs can be used for treatment due to low price andconsumption as pills or dairy products.

کلیدواژه ها:

AMPs ، Drug design ، Breast cancer ، Mutant ، HER۲