Pseudomonas aeruginosa is an opportunistic human pathogen responsible for acute and chronic, hard to treat infections. Persistence of P. aeruginosa is due to its ability to develop into biofilms which are sessile bacterial communities adhered to substratum and encapsulated in layers of self-produced exopolysaccharides. These biofilms provide enhanced protection from the host immune system and resilience towards antibiotics which poses a challenge for treatment. Various strategies have been expended for combating biofilms which involve inhibiting biofilm formation or promoting their dispersal. The current remediation approaches offer some hope for clinical usage however treatment and eradication of preformed biofilms is still a challenge. Thus, identifying novel targets and understanding the detailed mechanism of biofilm regulation becomes imperative. Structure-based drug discovery (SBDD) provides a powerful tool that exploits the knowledge of atomic resolution details of the targets to search for high affinity ligands. This review describes the available structural information on the putative target protein structures that can be utilised for high throughput in silico drug discovery against P. aeruginosa biofilms. Integrating available structural information on the target proteins in readily accessible format will accelerate the process of drug discovery.

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减轻铜绿假单胞菌生物膜的新药物靶点的结构分析

铜绿假单胞菌是一种机会性人类病原体，可引起难以治疗的急性和慢性感染。铜绿假单胞菌的持久性是由于其发育成生物膜的能力，生物膜是附着在基质上并封装在自身产生的胞外多糖层中的无柄细菌群落。这些生物膜提供了针对宿主免疫系统的增强保护和对抗生素的抵抗力，这对治疗提出了挑战。人们已经采取了各种策略来对抗生物膜，其中包括抑制生物膜形成或促进其扩散。目前的修复方法为临床应用带来了一些希望，但治疗和根除预先形成的生物膜仍然是一个挑战。因此，确定新的靶点并了解生物膜调节的详细机制变得势在必行。基于结构的药物发现 (SBDD) 提供了一种强大的工具，可以利用靶标的原子分辨率细节知识来搜索高亲和力配体。本综述描述了有关假定靶蛋白结构的可用结构信息，这些信息可用于针对铜绿假单胞菌生物膜的计算机药物发现的高通量。以易于访问的格式整合目标蛋白的可用结构信息将加速药物发现的过程。