IMASL   20939
INSTITUTO DE MATEMATICA APLICADA DE SAN LUIS "PROF. EZIO MARCHI"
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Adsorption of Cationic and Amphipathic Cell-penetrating Peptides to Porated Membranes
Autor/es:
RAMÍREZ, PEDRO G.; SZLEIFER, I.; VILA, JORGE A.; DEL PÓPOLO, MARIO G.; LONGO, GABRIEL S.
Lugar:
San Luis
Reunión:
Congreso; XLVIII Reunión Anual de la Sociedad Argentina de Biofísica; 2019
Institución organizadora:
Sociedad Argentina de Biofísica
Resumen:
Cell-penetrating peptides (CPPs) are short peptide sequences that can translocate to the inside of most mammalian cells and transport molecular cargoes through lipid membranes. While initially most identified CPPs were of a cationic nature, recently, certain amphipathic sequences peptides have been developed that exhibit cell-penetrating properties. Since CPPs were first discovered, their translocation mechanism has been subject to intese debate. In this regard, computational methods can help us analyze a wide range of parameters, and extract precise data for each case, in order to better understand their translocation mechanism. In the present work, we develop a molecular theory that allows to investigate the adsorption and insertion of cationic andamphipathic CPPs on membranes bearing hydrophilic pores. This method accounts for size, shape, conformation, protonation state and charge distribution of the peptides, as well as the interactions between hydrophobic peptides and the membrane; this method also describes the state of protonation of acidic membrane lipids. We present a systematic investigation of the effect of different peptides and its concentration,membrane composition, pore size, salt concentration and pH on the extent of peptide adsorption and insertion into the pores.