Exploring the Structural Stability of a Potential Antifungal Peptide Through Computational Analysis

Title: Exploring the Structural Stability of a Potential Antifungal Peptide Through Computational Analysis

Volume: 16 Issue: 11

Author(s): R. Rajasekaran and Rao Sethumadhavan

Affiliation:

Keywords: NK-Lysin, stabilization centers, total energy, cation-π, intra-molecular interactions, free energy change

Abstract: 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.

Cite this article as:

Rajasekaran R. and Sethumadhavan Rao, Exploring the Structural Stability of a Potential Antifungal Peptide Through Computational Analysis, Protein & Peptide Letters 2009; 16 (11) . https://dx.doi.org/10.2174/092986609789353637