In-silico screening of bio-antimicrobial peptides as potential drug for inhibiting CYP۵۱ in Aspergillus fumigatus, Candida albicans and Leishmania infantum

Backgrounds: Aspergillus fumigatus, Candida albicans and Leishmania infantum are threewidespread fatal skin disease producers so controlling these diseases is important. CytochromeP۴۵۰ protein (CYP۵۱) is common among these three microorganisms. It’s a hemoproteinenzyme and its duty is catalyzing oxidation of organic compounds cycle so blocking this proteincan be effective in treating of diseases caused by these microorganisms. It’s clear that naturalremedies are more reliable so using natural remedies is more effective and has less side effects.bio antimicrobial peptides(bio-AMP) are one of the natural agents that we can use them in thetreatments of diseases. Bio-AMPs are made in bacterias’ body and we use them against bacteriaswith the closest kinship.Materials and Methods: In this study we use RCSB PDB database in order to find PDB codesby using PDB database (https://www.rcsb.org/). StraPep (http://isyslab.info/StraPep/) andPhytAMP (http://phytamp.hammamilab.org/main) database were used to figure out AMPs.HADDOCK ۲.۲ (https://alcazar.science.uu.nl/services/HADDOCK۲.۲/) was used to checkbinding affinity between protein and peptide.Results: After checking and comparing it was proved that ۲KUY has the highest score ofbinding affinity for all of the target proteins and can be a Comprehensive treatment for skindiseases caused by A.fumigatus, C.albicans and L.infantum. ۲KEG from bacteria microorganismfor Candida albicans, ۱Z۶۴ with hookworm source for Aspergillus fumigatus and ۲MWT fromsnake venom microorganism for Leishmania infantum can be used as exclusive treatments.Conclusion: According to the results using ۲KUY, ۲KEG, ۱Z۶۴ and ۲MWT and change it toeliminate possible side effects it can be a good way to control these microorganisms. It’s abioinformatics study and need to be confirmed by experimental researches.

کلیدواژه ها:

CYP۵۱ ، Aspergillus fumigatus ، Candid albicans ، Leishmania infantum ، Bioantimicrobial peptides