Homologies between Chloroplast, plasma membrane, plastid, chloroplast envelope, putative [Theobroma cacao] and PEG10 protein [Homo sapiens]: a starting point for to deliver drugs to cells?

Abstract

Abstract Objective The purpose of this study is to explore the possible homology between the AA sequences of Chloroplast, plasma membrane, plastid, chloroplast envelope, putative [Theobroma cacao] and PEG10 protein [Homo sapiens]. Materials and methods Were performed the comparison with the VectorBuilder online, between the AA sequence of the GenBank: EOX96570 - Chloroplast, plasma membrane, plastid, chloroplast envelope, putative [Theobroma cacao] and GenBank: AAH50659.1 - PEG10 protein [Homo sapiens], using databanks of proteins from the National Center for Biotechnology Information (NCBI). The predicted structure of the GenBank: EOX96570 was used to design molecule that could target other proteins. The molecule was designed using a combination of EOX96570 with tyrosine kinase inhibitor (2X9F - ephB4 kinase domain inhibitor complex), accessed in the RCSB PDB database, by molecular docking and molecular dynamics simulations by SwissDock. Results The homology between the Chloroplast, plasma membrane, plastid, chloroplast envelope, putative [Theobroma cacao] and PEG10 protein [Homo sapiens], presented an identity of 51.72% (45/87) and a similarity of 51.72% ( 45/87). A molecule was designed using a combination of EOX96570 with a tyrosine kinase inhibitor (2X9F - EphB4 kinase domain inhibitor complex) through molecular docking and molecular dynamics simulations. The EOX96570 and the tyrosine kinase inhibitor were docked into the active site of the EphB4 kinase domain, taking into consideration their binding affinities and structural compatibility. Conclusion Bioinformatics data, suggest a possible link between Chloroplast, plasma membrane, plastid, chloroplast envelope, putative [Theobroma cacao] and PEG10 protein [Homo sapiens], and studies on the fruit of the cocoa tree are important to the safe, effective development of pharmaceutical products for the deliver drugs to cells.