Modelling and Molecular Dynamic simulation of Elafin
Publish place: The third international conference on research findings in agricultural engineering, natural resources and environment
Publish Year: 1402
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
AGRICONGE03_020
تاریخ نمایه سازی: 11 بهمن 1402
Abstract:
Elafin is a human antimicrobial peptide which its molecular weight is ۶.۵ kDa that naturally there is in the skin and mucous membranes of the lungs. Elafin and its precursor molecule trappin-۲ have antifungal, antiviral, and antibacterial activities against gram-negative and gram-positive bacteria. Also, they act as strong antiprotease inhibitors with anti-inflammatory properties. Considering that recombinant elafin contains polyhistidin tail and the presence of positive charges affects the interaction between peptide and bacterial membranes, the third structure of recombinant elafin modeled using Modeller software, Then, Molecular Dynamic simulation of elafin with GROMACS software was done. We reached to a three-dimensional structure of elafin that shows the state of the atomic level of the system at any point during the simulation.
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Authors
Fatemeh Soltaninejad
Department of Agricultural Biotechnology of Tarbiat Modarres University, Tehran, Iran
Mokhtar Jalali Javaran
Department of Agricultural Biotechnology of Tarbiat Modarres University, Tehran, Iran
Azadeh Lohrasbi-Nejad
Department of Agricultural Biotechnology of Shahid Bahonar University, Kerman, Iran