A platform for de novo peptide sequence library generation

peptides are short chains of proteins composed of ۲۰ amino acids. They have numerousfunctions in cells and organisms including antimicrobial, immune regulatory, hormone, pain control andmany other instances [۱]. Recently, peptides have attracted much attention due to their advantages inthe clinical applications. Based on the reports, more than ۶۰ approved peptide-base drugs are on themarket now [۲]. Sequence, structural and functional diversity of peptides could create millions ofpotentially therapeutic molecules. Non-toxicity, ease of synthesis, non-allergenic properties of peptidesmake them suitable as novel class of drugs [۳]. Despite of their applications, there is no decent anddedicated platform for peptide sequence library generation and manipulation. Available tools forpeptides are mostly designed for specific applications and they are not capable of generating andproducing user defined peptide library. For example, Pepfold server [۴] only predict the ۳D structure ofsingle peptide or Pepdraw [۵] only calculate the net charge and draw ۲D structure of a single peptidesequence. Peptidrive could design only a peptide sequence based on the ۳D structure of a template [۶].Our designed platform is a python-based software which uniquely developed for peptide sequencegeneration and manipulation in large scale including: ۱. de novo peptide sequence generation based onlength, ۲. Systematic mutation and insertion on the predefined sequence, ۳. Uni- and bi-directionalincremental sequence construction, ۴. Net-charge calculation based on the peptide sequence list.Currently, de novo design module can generate sequences covering ۲-۱۰ amino acids using breadth firstsearch algorithm. The software is still under development and other functions will be implemented suchas solubility calculation of peptide library and generation of ۳D structures based on a peptide sequencelist. The current platform enable users to generate and manipulate peptide sequence in large scale fordrug screening applications.

کلیدواژه ها:

peptide ، drugs ، python-based platform ، de novo sequence generation ، sequence manipulation