SAN DIEGO--(BUSINESS WIRE)--Iambic Therapeutics, a biotechnology company developing novel therapeutics using its unique generative AI discovery platform, today announced the publication of research in Nature Machine Intelligence showing that its NeuralPLexer technology outperforms other state-of-the art systems in predicting the structure of protein-ligand complexes as well as the conformational changes to these structures from the addition of drug molecules..

圣地亚哥--（商业新闻短讯）--Iambic Therapeutics，一家利用其独特的生成人工智能发现平台开发新型疗法的生物技术公司，今天发表的《自然机器智能研究》杂志显示，其NeuralPLexer技术在预测蛋白质-配体复合物的结构以及添加药物分子对这些结构的构象变化方面优于其他最先进的系统。。

“Our benchmarking shows we have set a new standard for predicting protein-ligand binding, directly generating 3D coordinates for full binding complexes, rapidly making available new reference structures, while improving prediction accuracy for novel targets and large-scale in silico screening,” said Tom Miller, PhD, Iambic Therapeutic’s CEO and co-author of the paper.

“我们的基准测试表明，我们已经为预测蛋白质-配体结合建立了新的标准，直接为全结合复合物生成3D坐标，快速提供新的参考结构，同时提高了新靶标和大规模计算机筛选的预测准确性，”Iambic Therapeutical首席执行官兼论文合著者汤姆·米勒（TomMiller）博士说。

“NeuralPLexer is allowing us to discover pharmacological patterns for increasingly complex protein targets and target areas and achieve unprecedented selectivity, novel mechanisms of structural engagement, the ability to expand patient populations by adding multiple target mutations as well as identify new mechanisms of action at protein-protein interfaces and at other unspecified sites.

“NeuralPLexer使我们能够发现越来越复杂的蛋白质靶标和靶区域的药理学模式，并实现前所未有的选择性，新的结构参与机制，通过添加多个靶标突变来扩大患者群体的能力，以及在蛋白质-蛋白质界面和其他未指定位点确定新的作用机制。

We are now generating structures that once took many months and significant investment to generate in just a matter of seconds.”.

我们现在正在创建的结构曾经需要几个月的时间和大量的投资才能在几秒钟内生成。”。

The peer-reviewed manuscript, State-specific protein-ligand complex structure prediction with a multi-scale deep generative model, was published online today and was the result of a collaboration between scientists at Iambic, Caltech and NVIDIA. A link to the publication can be found here.

同行评审的手稿《具有多尺度深度生成模型的状态特异性蛋白质-配体复合物结构预测》今天在线发布，是Iambic，加州理工学院和NVIDIA科学家合作的结果。可以在此处找到该出版物的链接。

While there has been great progress in using AI-driven systems to predict 3D protein structures, NeuralPLexer is advancing the field by predicting the conformational response of proteins on ligand binding, which is essential for understanding the impact of drug molecules on protein function.

虽然在使用AI驱动的系统预测3D蛋白质结构方面取得了很大进展，但NeuralPLexer通过预测蛋白质对配体结合的构象反应来推进该领域，这对于理解药物分子对蛋白质功能的影响至关重要。

The Company today also released a white paper highlighting the improvements in its next-generation NeuralPLexer2. Trained in October 2023, NeuralPLexer2 has already demonstrated significant improvements in the technology’s prediction accuracy and has scaled the model to include most categories of biological structures adding protein-protein complexes, cofactors, post-translational modifications (PTMs), and protein-nucleic acid complexes, and encompassing almost all structures in the Protein Data Bank (PDB)..

该公司今天还发布了一份白皮书，重点介绍了其下一代NeuralPLexer2的改进。NeuralPLexer2于2023年10月接受培训，已经证明该技术的预测准确性有了显着提高，并已将模型扩展到包括大多数类别的生物结构，添加了蛋白质-蛋白质复合物，辅因子，翻译后修饰（PTM）和蛋白质-核酸复合物，并涵盖了蛋白质数据库（PDB）中的几乎所有结构。。

Iambic Therapeutics uses NeuralPLexer in building its own pipeline, including the discovery of IAM1363, a selective and brain-penetrant small molecule inhibitor of HER2 wildtype and oncogenic mutant proteins, designed to expand therapeutic index compared to available HER2 inhibitors and to avoid toxicities from off-target inhibition of EGFR, a related receptor tyrosine kinase.

Iambic Therapeutics使用NeuralPLexer建立自己的管道，包括发现IAM1363，一种HER2野生型和致癌突变蛋白的选择性和脑渗透性小分子抑制剂，旨在与可用的HER2抑制剂相比扩大治疗指数，并避免脱靶抑制EGFR（一种相关受体酪氨酸激酶）的毒性。

In preclinical studies, IAM1363 has demonstrated over 1000-fold selectivity for HER2 compared to EGFR. An IND for IAM1363 was recently accepted by FDA and clinical trials are planned to commence in early 2024 – a timeline that has the drug candidate moving from program start to clinical studies in under two years..

在临床前研究中，与EGFR相比，IAM1363对HER2的选择性超过1000倍。IAM1363的IND最近被FDA接受，临床试验计划于2024年初开始，这一时间表使候选药物在不到两年的时间内从计划开始转向临床研究。。

“Iambic’s NeuralPLexer2 is pushing the boundaries of generative AI in 3D protein prediction, helping to enable new capabilities by accurately representing how structures alter their shape as a result of drug interactions,” said Rory Kelleher, Global Head of Business Development for Life Sciences at NVIDIA.

“Iambic的NeuralPLexer2正在推动3D蛋白质预测中生成AI的界限，通过准确表示结构如何因药物相互作用而改变其形状，帮助实现新功能，”NVIDIA生命科学全球业务发展负责人Rory Kelleher说。

“These advances demonstrate the possibilities of a new era of computer-aided drug discovery that aims to accelerate the process as well as develop better drug candidates – and, as part of this movement, Iambic’s innovations are being translated into important new medicines for patients.”.

“这些进步证明了计算机辅助药物发现新时代的可能性，旨在加速这一过程并开发更好的候选药物-作为这一运动的一部分，Iambic的创新正在转化为重要的患者新药。”。

About the Iambic Therapeutics Physics-Informed AI-Driven Discovery Platform

关于Iambic Therapeutics物理信息人工智能驱动的发现平台

The Iambic Therapeutics AI-driven platform was created to address the most challenging design problems in drug discovery, incorporating the most current AI technologies and purpose-built tools from Iambic. The integration of physics principles into the platform’s AI architectures improves data efficiency and allows molecular models to venture widely across the space of possible chemical structures.

Iambic Therapeutics AI驱动平台是为了解决药物发现中最具挑战性的设计问题而创建的，它结合了Iambic最新的AI技术和专门构建的工具。将物理原理集成到平台的AI架构中可以提高数据效率，并允许分子模型在可能的化学结构空间中广泛冒险。

The platform’s algorithms enable identification of new chemical mechanisms for engaging difficult-to-address biological targets, discovery of defined product profiles that optimize therapeutic window, and exploration of the chemical space to discover candidates for development with highly differentiated properties.

该平台的算法能够识别新的化学机制，以参与难以解决的生物靶标，发现优化治疗窗口的定义产品概况，以及探索化学空间以发现具有高度分化特性的开发候选者。

Through close integration of AI-generated molecular designs with automated experimental execution, Iambic completes design-make-test cycles on a weekly cadence..

通过将人工智能生成的分子设计与自动实验执行紧密结合，Iambic以每周的节奏完成设计-制作-测试周期。。

About Iambic Therapeutics

关于抑扬格疗法

Founded in 2019 and headquartered in La Jolla, California, Iambic Therapeutics is disrupting the therapeutics landscape with its unique AI-driven drug-discovery platform. Iambic has assembled a world-class team that unites pioneering AI experts and experienced drug hunters with strong track records of success in delivering clinically validated therapeutics.

Iambic Therapeutics成立于2019年，总部位于加利福尼亚州拉霍亚，凭借其独特的人工智能驱动的药物发现平台，正在颠覆治疗学的格局。Iambic组建了一个世界级的团队，该团队将领先的人工智能专家和经验丰富的药物猎手团结在一起，在提供临床验证治疗方面取得了良好的成功记录。

The Iambic platform has been demonstrated to deliver high-quality, differentiated therapeutics to clinical stage with unprecedented speed and across multiple target classes and mechanisms of action. The Iambic team is advancing an internal pipeline of clinical assets to address urgent unmet patient needs.

Iambic平台已被证明可以以前所未有的速度，跨越多个目标类别和作用机制，为临床阶段提供高质量，差异化的治疗方法。Iambic团队正在推进临床资产的内部管道，以解决紧急未满足的患者需求。

Learn more about the Iambic team, platform, and pipeline at iambic.ai..

在Iambic.ai了解更多关于Iambic团队、平台和管道的信息。。