Drugena：用于设计针对神经退行性疾病的抗体药物偶联物的全自动免疫信息学平台。

Drugena: A Fully Automated Immunoinformatics Platform for the Design of Antibody-Drug Conjugates Against Neurodegenerative Diseases.

机构信息

Genetics and Computational Biology Group, Laboratory of Genetics, Department of Biotechnology, Agricultural University of Athens, Athens, Greece.

Department of Informatics and Telecommunications, National and Kapodistrian University of Athens, Athens, Greece.

出版信息

Adv Exp Med Biol. 2020;1194:203-215. doi: 10.1007/978-3-030-32622-7_18.

DOI:10.1007/978-3-030-32622-7_18

PMID:32468536

Abstract

Antibodies are proteins that are the first line of defense in the adaptive immune response of vertebrates. Thereby, they are involved in a multitude of biochemical mechanisms and clinical manifestations with significant medical interest, such as autoimmunity, the regulation of infection, and cancer. An emerging field in antibody science that is of huge medicinal interest is the development of novel antibody-interacting drugs. Such entities are the antibody-drug conjugates (ADCs), which are a new type of targeted therapy, which consist of an antibody linked to a payload drug. Overall, the underlying principle of ADCs is the discerning delivery of a drug to a target, hoping to increase the potency of the original drug. Drugena suite is a pioneering platform that employs state-of-the-art computational biology methods in the fight against neurodegenerative diseases using ADCs. Drugena encompasses an up-to-date structural database of specialized antibodies for neurological disorders and the NCI database with over 96 million entities for the in silico development of ADCs. The pipeline of the Drugena suite has been divided into several steps and modules that are closely related with a synergistic fashion under a user-friendly graphical user interface.

摘要

抗体是脊椎动物适应性免疫反应中的第一道防线的蛋白质。因此，它们参与了许多具有重要医学意义的生化机制和临床表现，如自身免疫、感染调节和癌症。抗体科学中一个新兴的、具有巨大医学兴趣的领域是新型抗体相互作用药物的开发。这些实体是抗体药物偶联物（ADCs），它们是一种新型的靶向治疗方法，由与有效药物相连的抗体组成。总的来说，ADCs 的基本原理是将药物有针对性地递送到靶标，希望提高原始药物的效力。Drugena 套件是一个开创性的平台，它采用最先进的计算生物学方法，利用 ADC 治疗神经退行性疾病。Drugena 包含一个针对神经疾病的专用抗体的最新结构数据库，以及 NCI 数据库，其中包含超过 9600 万个实体，用于 ADC 的计算机开发。Drugena 套件的流水线分为几个步骤和模块，它们在用户友好的图形用户界面下以协同的方式紧密相关。