Exploring the structural stability of a potential antifungal peptide through computational analysis.
We analyzed 27 antifungal peptides (AFPs) to understand their stability by various parameters like, stabilization centers, GROMOS, OPLS and FOLDEF force fields. Subsequently, we propose that AFP, NK-Lysin could be considered a potential candidate and also could act as a template for designing the therapeutic peptide drug against pathogenic fungi.
Rajasekaran
R
R
School of Biotechnology, Chemical and Biomedical Engineering, Bioinformatics Division, Vellore Institute of Technology University, Tamil Nadu, India.
Sethumadhavan
Rao
R
D000935:Antifungal Agents / Q000737:chemistry*; D023181:Antimicrobial Cationic Peptides / Q000737:chemistry*; D019295:Computational Biology / Q000379:methods*; D030562:Databases, Protein; D011487:Protein Conformation; D055550:Protein Stability; D013816:Thermodynamics
D000935:Antifungal Agents; D023181:Antimicrobial Cationic Peptides