2017英特尔ISEF获奖作品摘要 生物化学 Intel Finalist Abstract Biochemistry

获奖作品基本信息

年份	2017
学科	生物化学 Biochemistry
国家/州	United States of America

获奖作品名称

Enzyme Dynamics of Biofilm-Breaking Dispersin B

获奖作品摘要

Biofilm-based infections pose two major problems: extreme resistance to antibiotics and many other conventional antimicrobial agents and extreme capacity for evading the host defenses. Dispersin B is a glycoside hydrolase that hydrolyzes the linear polymers in poly-β-1,6-N-acetylglucosamine, considered the main component of the biofilm. Thus, understanding the enzyme dynamics of biofilm-breaking Dispersin B and the nature of the substrate transition state would be important to develop effective antibiotic strategies.

To obtain thermodynamic activation parameters, assays of Dispersin B and a biofilm from Staphylococcus aureus were conducted. Dispersin B successfully disturbed biofilm formation due to its cleaving abilities. Additionally, various concentrations of glucose were added to bacteria media, and addition of glucose was found to improve the biofilm formation. Using the optimal concentration of 8 mg/L glucose, independent temperature-controlled assays were performed with varying degrees of substrate concentration to determine the rate constant, which was input in the Arrhenius and Eyring equations. From the resulting thermodynamic values, the Gibbs free energy of activation was determined to be 62.9 kJ/mol at 37 degrees Celsius.

Molecular dynamics simulations were performed to predict the transition state structure. After chemically drawn and optimized using the program Avogadro, the substrate analog (4-Nitrophenyl N-acetyl-β-D-glucosaminide) and the potential transition state structure were docked in the active site of Dispersin B. After 1ns molecular dynamics simulations, the potential transition state was observed. This computational method could yield better models of transition-state inhibitors for drug design.

 

 

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ISEF 简介

英特尔国际科学与工程大奖赛，简称 "ISEF"，由美国 Society for Science and the Public（科学和公共服务协会）主办，英特尔公司冠名赞助，是全球规模最大、等级最高的中学生的科研科创赛事。ISEF 的学术活动学科包括了所有数学、自然科学、工程的全部领域和部分社会科学。ISEF 素有全球青少年科学学术活动的“世界杯”之美誉，旨在鼓励学生团队协作，开拓创新，长期专一深入地研究自己感兴趣的课题。

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英特尔 ISEF 学术活动详细介绍

英特尔 ISEF 全程指导方案

· 数学 · 物理 · 化学 · 生物 · 计算机 · 工程 ·

学科简介：生物化学 Biochemistry

The study of the chemical basis of processes occurring in living organisms, including the processes by which these substances enter into, or are formed in, the organisms and react with each other and the environment.

Subcategories:

Analytical Biochemistry (ANB): The study of biochemical components found in a cell or other biological sample. The study of the separation, identification, and quantification of chemical components relevant to living organisms.

General Biochemistry (GNR): The study of chemical and physiochemical processes, including interactions and reactions, relevant to living organisms.

Medicinal Biochemistry (MED): The study of biochemical processes within the human body, with special reference to health and disease.

Structural Biochemistry (STR): The study of components, functions, and structures of molecules of cells within living organisms. Projects in this subcategory can address various variables of cells through the theories of Chemistry and the laws of Physics.

Other (OTH): Studies that cannot be assigned to one of the above subcategories. If the project involves multiple subcategories, the principal subcategory should be chosen instead of Other.