The aim of this study was to use molecular docking to understand the molecular interaction between different structural and un-structural proteins of COVID-19 with the most important unsaturated fatty acids in pistachio oil. Here, to create the three-dimensional structure of structural and un-structural proteins, their FASTA sequences were extracted from PUBMED and then used I-TASSER algorithm. In this study, Hdock online software was used to understand the molecular interaction between selected protein targets and ligands. At the end of the docking score (Delta G) was determined for each interaction. This study showed that the most important unsaturated fatty acids (Oleic acid, Linoleic aicd, Palmitoleic acid, and Linolenic acid), found in pistachio oil, have the ability to bind to different structural and non-structural proteins of COVID-19. Among the various structural protein targets, S protein the highest affinity when interacted with oleic acid, and among various non-structural protein targets, nsp13 had the highest affinity when docked with oleic acid.
Ali Jebali and Gholamhossein Hasanshahi