Validating a Predictive Structure-Property Relationship by Discovery of Novel Polymers which Reduce Bacterial Biofilm Formation.
Validating a Predictive Structure-Property Relationship by Discovery of Novel Polymers which Reduce Bacterial Biofilm Formation.
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DOI：
10.1002/adma.201903513
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发表时间：
2019-12
期刊：
影响因子：
--
通讯作者：
Alexander MR
中科院分区：
文献类型：
--
作者：
Dundas AA;Sanni O;Dubern JF;Dimitrakis G;Hook AL;Irvine DJ;Williams P;Alexander MR
合成材料是现代医疗保健的日常组成部分，但由于以医疗器械为中心的感染，合成材料经常失效。导管相关尿路感染的发病率在使用的每一天都在3%到7%之间，这意味着当居住足够长的时间时，感染是不可避免的。关于抗菌素耐药性的奥尼尔评论估计，如果不加以控制，到2050年，每年将有1000万人死于耐药性感染。开发抗细菌定植的生物材料可在减少器械相关感染方面发挥重要作用。然而，缺乏定量构效关系（QSAR）阻碍了新生物材料的合理设计。在这里，我们报告了一系列聚合物上细菌生物膜形成的预测QSAR的发展，使用计算的单体单元的分子描述符来发现和发现新的，生物膜抗性的（甲基）丙烯酸酯基聚合物。这些预测成功地验证了新单体的合成，我们发现创建涂层的生物膜形成的耐六种不同的细菌病原体：铜绿假单胞菌，奇异变形杆菌，粪肠球菌，肺炎克雷伯氏菌，大肠杆菌和金黄色葡萄球菌。与临床使用的硅胶导管相比，观察到减少六种临床相关细菌物种与导管相关尿路感染的生物膜形成的高效力，平均减少55倍。
Synthetic materials are an everyday component of modern healthcare yet often fail routinely as a consequence of medical device-centred infections. The incidence rate for catheter-associated urinary tract infections is between 3 and 7% for each day of use, which means that infection is inevitable when resident for sufficient time. The O’Neill Review on antimicrobial resistance estimates that, left unchecked, 10 million people will die annually from drug-resistant infections by 2050. Development of biomaterials resistant to bacterial colonisation can play an important role in reducing device-associated infections. However, rational design of new biomaterials is hindered by the lack of quantitative structure-activity relationships (QSAR). Here we report the development of a predictive QSAR for bacterial biofilm formation on a range of polymers, using calculated molecular descriptors of monomer units to discover and exemplify novel, biofilm-resistant (meth)acrylate-based polymers. These predictions are validated successfully by the synthesis of new monomers which we polymerize to create coatings found to be resistant to biofilm formation by six different bacterial pathogens: Pseudomonas aeruginosa, Proteus mirabilis, Enterococcus faecalis, Klebsiella pneumoniae, Escherichia coli and Staphylococcus aureus. A high efficacy for reducing biofilm formation of six clinically relevant bacterial species to catheter associated urinary tract infections is observed with an average 55-fold reduction compared to clinically used silicone catheters.
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DOI：
10.1002/adma.201501351
发表时间：
2015-07-15
期刊：
Advanced materials (Deerfield Beach, Fla.)
影响因子：
--
作者：
Celiz AD;Smith JG;Patel AK;Hook AL;Rajamohan D;George VT;Flatt L;Patel MJ;Epa VC;Singh T;Langer R;Anderson DG;Allen ND;Hay DC;Winkler DA;Barrett DA;Davies MC;Young LE;Denning C;Alexander MR
通讯作者：
Alexander MR
DOI：
10.1039/c2tb00379a
发表时间：
2013-02-21
期刊：
Journal of materials chemistry. B
影响因子：
--
作者：
Hook AL;Scurr DJ;Burley JC;Langer R;Anderson DG;Davies MC;Alexander MR
通讯作者：
Alexander MR
影响因子：
14
作者：
Bayston, Roger;Fisher, Leanne E.;Weber, Klaus
通讯作者：
Weber, Klaus
影响因子：
46.9
作者：
通讯作者：
--
影响因子：
5.2
作者：
Torumkuney, D.;Mayanskiy, N.;Morrissey, I.
通讯作者：
Morrissey, I.