2017英特爾ISEF獲獎作品摘要 生物化學(xué) Intel Finalist Abstract Biochemistry

獲獎作品基本信息

年份	2017
學(xué)科	生物化學(xué) Biochemistry
國家/州	United States of America

獲獎作品名稱

Enzyme Dynamics of Biofilm-Breaking Dispersin B

獲獎作品摘要

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 簡介

英特爾國際科學(xué)與工程大獎賽，簡稱 "ISEF"，由美國 Society for Science and the Public（科學(xué)和公共服務(wù)協(xié)會）主辦，英特爾公司冠名贊助，是全球規(guī)模最大、等級最高的中學(xué)生的科研科創(chuàng)賽事。ISEF 的學(xué)術(shù)活動學(xué)科包括了所有數(shù)學(xué)、自然科學(xué)、工程的全部領(lǐng)域和部分社會科學(xué)。ISEF 素有全球青少年科學(xué)學(xué)術(shù)活動的“世界杯”之美譽，旨在鼓勵學(xué)生團隊協(xié)作，開拓創(chuàng)新，長期專一深入地研究自己感興趣的課題。

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英特爾 ISEF 學(xué)術(shù)活動詳細(xì)介紹

英特爾 ISEF 全程指導(dǎo)方案

· 數(shù)學(xué) · 物理 · 化學(xué) · 生物 · 計算機 · 工程 ·

學(xué)科簡介：生物化學(xué) 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.

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