Anti-Candida Peptide Sequence Analysis

Computational analysis was performed starting from three previously described peptides endowed with anti-Candida activity. In particular, peptides K10S (KKVTMTCSAS) [19 (link)], D5A (TCRVAHRGLTF) [20 (link)], and N1A (AQVSLTCLVK) [21 (link)] were selected to determine the correspondences between residues of the three sequences. For this purpose, we exploited MOE’s sequence alignment tool, a modified version of the alignment methodology originally introduced into molecular biology by Needleman (Molecular Operating Environment, MOE, 2020.09, Chemical Computing Group ULC, Montreal, QC, Canada, 2020). The alignment was computed through a function based on residue similarity score (obtained from applying BLOSUM 40 substitution matrix) and gap penalties. Starting from the amino acidic sequence of K10S peptide, random peptides were generated through sample sequence methodology and analyzed through the mutational analysis tool.