A SIMPLE ANALYSIS OF BINDING MODE BETWEEN RNASEA AND SIRNA Pang Jingzhi & Yang Jiabei

BACKGROUND RNA interference (RNAi) miRNA&siRNA cause destruction of specific mRNA molecules inhibit gene expression Function: Defend cells against parasitic nucleotide sequences Gene knockdown Gene therapy

PROBLEM RNase A Cause RNA degradation commonly used in research specific for single-stranded RNAs siRNA half-life period: less than 15min Q:How to improve the stability? RNase A

OUR GOAL Literature research: Four nucleotides in the binding pocket We try to find out: Whether it has the preference of nucleotide type in the binding position

PROCEDURE Preparation of materials Structure: 1RCN Mutation of nucleotides: Discovery Studio new complex MD MMGBSA--binding energy Result analysis: Statistics and structures PDB ID:1RCN

METHOD MD Software: Amber12 Parameters: Minimization steps: Heating time: 50ps Equilibration time: 50ps Production: 5ns Time step: 2fs MMGBSA Salt concentration: 0.1M Time step:20ps

RESULT & FUTURE WORK Sort by ascending binding energy Problem : Not an accurate energy Future work: Search the experimental literature to prove it Analysis the results MD analysis: find the evidence in structure

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