title: The role of pi-interactions and hydrogen bonds in fully protective synthetic malaria vaccine development.
abstract: Analysis of our Plasmodium falciparum malaria parasite peptides'1H-NMR database in the search for H-bonds and π-interactions led us to correlate their presence or absence with a peptide's particular immunological behavior. It was concluded that a 26.5 ± 1.5 Å between positions 1 to 9 of the HLA-DRβ1* interacting region was necessary for proper docking of 20mer-long peptides and these MHC Class II molecules for full-protective immunity. Presence of intramolecular H-bonds or π-interactions leading to righ-handed α-helix or β-turn conformation in this peptide's region induces different immune responses or none. PPIILconformation and the absence of any intramolecular interaction thus became the first feature characterising our immune protection-inducing structures as malaria vaccine candidates.
authors.affiliation: Fundación Instituto de Inmunología de Colombia, Colombia; Universidad del Rosario, Colombia.
authors.forename: César
authors.initials: C
authors.lastname: Reyes
authors.affiliation: Fundación Instituto de Inmunología de Colombia, Colombia; Universidad de Ciencias Aplicadas y Ambientales (UDCA), Colombia.
authors.forename: Armando
authors.initials: A
authors.lastname: Moreno-Vranich
authors.affiliation: Fundación Instituto de Inmunología de Colombia, Colombia; Universidad Nacional de Colombia, Colombia. Electronic address: mepatarr@gmail.com.
authors.forename: Manuel Elkin
authors.initials: ME
authors.lastname: Patarroyo
mesh_terms: D001665:Binding Sites; D015195:Drug Design; D059811:HLA-DRB1 Chains / Q000737:chemistry / Q000648:ultrastructure; D000949:Histocompatibility Antigens Class II / Q000737:chemistry* / Q000648:ultrastructure*; D006860:Hydrogen Bonding; D017780:Malaria Vaccines / Q000737:chemistry*; D010455:Peptides / Q000737:chemistry*; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping / Q000379:methods*; D020539:Sequence Analysis, Protein; D013329:Structure-Activity Relationship; D014614:Vaccines, Synthetic / Q000737:chemistry / Q000648:ultrastructure
chemical_list: D059811:HLA-DRB1 Chains; D000949:Histocompatibility Antigens Class II; D017780:Malaria Vaccines; D010455:Peptides; D014614:Vaccines, Synthetic
keywords: Hydrogen bond; Malaria; TCR-peptide-MHC complex; X—H-π interaction