Computational modelling and simulation of antibodies to enhance binding affinity of a potential Burkholderia pseudomallei therapeutic

抗体的计算模型和模拟，以增强潜在的鼻疽伯克霍尔德氏菌治疗剂的结合亲和力

• 批准号: 2750554
• 金额: --
• 依托单位: University of Southampton
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2021
• 资助国家: 英国
• 起止时间: 2021 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2750554
• 关键词: Computational; modelling; simulation; antibodies; enhance

This PhD proposal aims to enhance the effectiveness of an antibody:antibiotic conjugate as a treatment for Burkholderia pseudomallei, the causative agent of melioidosis and a potential biological warfare agent. The proposed project will combine laboratory techniques and computational simulations with the goal of defining the currently unknown paratope and epitope of the monoclonal antibody (mAb) and bacteria. Subsequently, I will aim to deliver a rationally designed mAb with improved binding affinity. Improvements to the mAb would have a direct impact on the proposed treatment; ultimately reducing the number of deaths, removing the need for long term antibiotic regimes, and diminishing the attractiveness of B. pseudomallei as a bioweapon.

该博士提案旨在提高抗体的有效性：抗生素缀合物作为类鼻疽伯克霍尔德氏菌的治疗，类鼻疽的病原体和潜在的生物战剂。拟议的项目将结合联合收割机实验室技术和计算模拟的目标，确定目前未知的互补位和表位的单克隆抗体（mAb）和细菌。随后，我将致力于提供一种合理设计的mAb，其具有改善的结合亲和力。mAb的改进将对所提出的治疗产生直接影响;最终减少死亡人数，消除对长期抗生素方案的需要，并降低B的吸引力。假鼻疽作为生化武器