Identification of Lutzomyia longipalpis Odorant Binding Protein Modulators by Comparative Modeling, Hierarchical Virtual Screening, and Molecular Dynamics

Figure 1

Global pairwise alignment of Lutzomyia longipalpis OBP sequence and the selected template sequence. () Identity of amino acid residue aligned in the indicated column. (:) Similarity of amino acid residue aligned in the indicated column. (.) Low similarity of amino acid residue aligned in the indicated column. (-) Noncorrespondence (gap) site. Residues highlighted in blue are part of the template orthosteric site. Residues highlighted in yellow are the more ionizable residues from the C-terminal region. Red characters indicate poorly conserved region in the alignment.