Biomedical Research

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Effect of Mutation S34N on hCAP in Periodontal Dental Arthritis Patients: Molecular Dynamics Simulation Study

Studies have shown that genetic factors involved in the host responses might determine the
severity of periodontitis and the missense mutation of S34N in human cathelicidin antimicrobial
peptide (hCAP) is one of the predominant factors in this severity. The aim of this study is to
study the effect of this mutation on protein dynamics. The FASTA sequence of the protein was
subjected to four different (SIFT, Polyphen-2, PhD-SNP and MutPred ) polymorphism effect
prediction servers and the same format of the sequence was used to modelled the three
dimensional structure of hCAP. The modelled structure was then subjected to Molecular
dynamics simulations for Atomic insight. All the four servers predicted the mutation to be
damaging and on analysing the effect of this mutation with the help of GROMACS, the results
were showing the mutant structure unstable and differencing at every level in comparison with
wild type hCAP.

Author(s): Wei-Qun Zhang, Yun-Qi Liu,Quan-Sheng Ma, Li Wang, Zhao-Hui Hu