Department of Statistics, University of Oxford, Oxford, UK.
Protein Design and Informatics, Research Technologies, GSK R&D, Upper Providence, USA.
MAbs. 2024 Jan-Dec;16(1):2434121. doi: 10.1080/19420862.2024.2434121. Epub 2024 Nov 29.
Antibodies are a popular and powerful class of therapeutic due to their ability to exhibit high affinity and specificity to target proteins. However, the majority of antibody therapeutics are not genetically human, with initial therapeutic designs typically obtained from animal models. Humanization of these precursors is essential to reduce immunogenic risks when administered to humans.Here, we present Humatch, a computational tool designed to offer experimental-like joint humanization of heavy and light chains in seconds. Humatch consists of three lightweight Convolutional Neural Networks (CNNs) trained to identify human heavy V-genes, light V-genes, and well-paired antibody sequences with near-perfect accuracy. We show that these CNNs, alongside germline similarity, can be used for fast humanization that aligns well with known experimental data. Throughout the humanization process, a sequence is guided toward a specific target gene and away from others via multiclass CNN outputs and gene-specific germline data. This guidance ensures final humanized designs do not sit 'between' genes, a trait that is not naturally observed. Humatch's optimization toward specific genes and good VH/VL pairing increases the chances that final designs will be stable and express well and reduces the chances of immunogenic epitopes forming between the two chains. Humatch's training data and source code are provided open-source.
抗体是一类非常有效且用途广泛的治疗药物,这是因为它们能够对目标蛋白表现出高亲和力和特异性。然而,大多数抗体药物并非源于人类,最初的治疗设计通常是从动物模型中获得。对这些前体进行人源化处理对于降低在人类中给药时的免疫原性风险至关重要。在这里,我们介绍了 Humatch,这是一种计算工具,旨在在几秒钟内提供重链和轻链的类似实验性的联合人源化。Humatch 由三个轻量级卷积神经网络 (CNN) 组成,这些网络经过训练可以识别人类重 V 基因、轻 V 基因和具有近乎完美准确性的配对良好的抗体序列。我们表明,这些 CNN 可以与种系相似性一起用于快速人源化,其与人源化实验数据的一致性很好。在整个人源化过程中,序列通过多类 CNN 输出和基因特异性种系数据被引导到特定的目标基因,而远离其他基因。这种引导确保最终的人源化设计不会位于基因之间,这是一种自然不会观察到的特征。Humatch 针对特定基因的优化和良好的 VH/VL 配对增加了最终设计稳定表达的可能性,并降低了两条链之间形成免疫原性表位的可能性。Humatch 的训练数据和源代码都提供了开源。