CHARACTERIZATION AND QSAR MODELING OF FELINE IMMUNODEFICIENCY VIRUS INHIBITORY PEPTIDES
YONGZHONG LU *
Department of Biology, Qingdao University of Science and Technology, 266042, Qingdao, China
DAOLE KANG
Department of Biology, Qingdao University of Science and Technology, 266042, Qingdao, China
YIMIN SONG
Department of Biology, Qingdao University of Science and Technology, 266042, Qingdao, China
JIE LIU
Department of Biology, Qingdao University of Science and Technology, 266042, Qingdao, China
*Author to whom correspondence should be addressed.
Abstract
Feline immunodeficiency virus (FIV) is a widespread pathogen of domestic cats which can cause AIDS-like disease. FIV entry is mediated by the envelope SU and TM glycoproteins. Peptides derived from these proteins exhibited FIV inhibitory effects, but the mechanism is not fully understood.
In this study, secondary structures and physiochemical features of these peptides were computionally studied, and the quantitative structure-activity relationship (QSAR) models based on the physicochemical properties of the entire peptide sequences were constructed, to find key structural and physiochemical features responsible for their inhibitory activities. The results showed that these highly active peptides had a propensity to form hydrophobic or amphipathic α-helical structures, and the QSAR models performed well in reliability and predictability (R2>0.98, Q2ext>0.76). It was therefore concluded that optimization of the peptides derived from the SU and TM glycoproteins of FIV envelope with hydrophobic or amphipathic α-helical structures by virtue of QSAR models appears to be a good strategy against FIV by interfering with its entry into cells or release of its new virions.
Keywords: Physicochemical features, feline immunodeficiency virus, quantitative structure-activity relationship (QSAR), envelope glycoprotein; secondary structure