Modeling of Biomolecular Systems Interactions, Dynamics, and Allostery: Bridging Experiments and Computations - September 10-14, 2014, Istanbul, Turkey

Modeling of Biomolecular Systems Interactions, Dynamics, and Allostery Poster Session II

84-POS Board 37 Elucidation of Interaction Mechanism of Coronavirus Proteins with Molecular Docking Gizem Tatar , Tuğba Taşkın Tok . Gaziantep University, Gaziantep, Turkey. Coronavirus (CoV) is a very diverse virus family. They interact with host cells at several stages and also perform their infection and replication by using the various mechanisms of host cells. For example, in 2003, coronavirus phylogenetic typing work performed during an outbreak of Severe Acute Respiratory distress Syndrome (SARS), this virus family is characterized by frequently changing hosts were revealed. Therefore, It is necessary to know the important role factors in CoV replication-transcription. This important information will be developed in future vaccines and so it is important to develop treatments. The main aim of the study is illuminated the mechanism that a detailed between nucleocapsid protein (N) which has an important role the replication-transcription and collecting (assembly) of CoV and non structural protein (nsp3) which is thought to form the skeletal system of RTC, help of molecular modeling techniques. In this study, primarily, Homology Modeling protocol is performed to obtain possible model structure of MHV proteins by using Discovery Studio (DS) 3.5 software. The obtained models are minimized by using Nanoscale Molecular Dynamics (NAMD) to be provide the stable form of the mentioned proteins. Then, protein-protein interactions mechanism have been analyzed through HADDOCK program. As a result of molecular docking, it will be providing contribution to the development of drugs and vaccines against CoV based on results of the experimental data.

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