Application of PolyPRep tools on HIV protease polyproteins using molecular docking

• Autor(a) principal: Dias,M. F. R.
• Data de Publicação: 2024
• Outros Autores: Oliveira,F. L. L., Pontes,V. S., Silva,M. L.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Brazilian Journal of Biology
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1519-69842024000100151
• topic: polyprotein; fragmentation; modelling; 3D structures

Abstract In recent years, the development of high-throughput technologies for obtaining sequence data leveraged the possibility of analysis of protein data in silico. However, when it comes to viral polyprotein interaction studies, there is a gap in the representation of those proteins, given their size and length. The prepare for studies using state-of-the-art techniques such as Machine Learning, a good representation of such proteins is a must. We present an alternative to this problem, implementing a fragmentation and modeling protocol to prepare those polyproteins in the form of peptide fragments. Such procedure is made by several scripts, implemented together on the workflow we call PolyPRep, a tool written in Python script and available in GitHub. This software is freely available only for noncommercial users.