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BOSTON--(BUSINESS WIRE)--DeepCure, a leader in discovering novel therapeutics powered by AI and automation, announced today that its Inspired Chemistry™ platform had achieved a breakthrough in chemical synthesis. In a demonstration study, the platform synthesized nirmatrelvir and 56 analogs in parallel using a robot-driven workflow.
波士顿--(商业新闻短讯)--DeepCure是发现人工智能和自动化技术支持的新型治疗方法的领导者,今天宣布其启发的Chemistry™平台在化学合成方面取得了突破。在一项示范研究中,该平台使用机器人驱动的工作流程并行合成了尼马曲韦和56种类似物。
The Inspired Chemistry™ platform, which is available to early access partners, is expected to drive further innovation in drug discovery by enabling researchers to rapidly synthesize and test more diverse and complex molecule designs..
受启发的Chemistry™平台可供早期访问合作伙伴使用,通过使研究人员能够快速合成和测试更多样化和复杂的分子设计,有望推动药物发现的进一步创新。。
Small molecule drug discovery still depends on molecules that are handmade by chemists. However, the high cost and long timelines of manual synthesis limit the number of molecules that drug discovery researchers can purchase and test. These limitations stifle innovation and optimization, and therefore chemists have tried to automate synthesis for decades.
小分子药物的发现仍然依赖于化学家手工制造的分子。然而,人工合成的高成本和长时间限制了药物发现研究人员可以购买和测试的分子数量。这些限制扼杀了创新和优化,因此化学家几十年来一直试图自动化合成。
Attempts to date have fallen short on chemical diversity, complexity, throughput, or cost..
迄今为止的尝试在化学多样性、复杂性、吞吐量或成本方面都没有达到。。
“We are in a new golden age for drug discovery with exciting opportunities to identify small molecules for novel mechanisms and target classes,” said Kfir Schreiber, CEO, DeepCure. “Yet, to truly harness this potential, we require a wealth of experimental data to inform the design of these new molecules.
DeepCure首席执行官Kfir Schreiber说:“我们正处于药物发现的新黄金时代,有着令人兴奋的机会来识别新机制和目标类别的小分子。”。“然而,为了真正利用这种潜力,我们需要大量的实验数据来为这些新分子的设计提供信息。
Automated synthesis is imperative to quickly and cost-effectively test thousands of molecules to explore diverse chemical spaces, understand new structure-activity relationships, and optimize efficacy and safety.”.
自动化合成对于快速且经济高效地测试数千个分子以探索不同的化学空间,了解新的结构-活性关系以及优化功效和安全性至关重要。”。
The Inspired Chemistry™ platform is designed to automate the simultaneous synthesis of thousands of molecules with complex characteristics, such as multiple chiral centers. For example, nirmatrelvir (Paxlovid), which features six chiral centers and requires 10 synthetic steps (including five steps of purification), was successfully synthesized.
Inspired Chemistry™平台旨在自动同时合成数千个具有复杂特征的分子,例如多个手性中心。例如,成功合成了尼马曲韦(Paxlovid),其具有六个手性中心,需要10个合成步骤(包括五个纯化步骤)。
The synthesis yielded 30 mg of the correct stereoisomer of nirmatrelvir at 98% purity, and more than fifty diverse analogs at 1 mg scale. These capabilities are ideal for drug discovery programs that need to rapidly generate diverse and complex chemical matter from a hit or to explore a large chemical space around a lead molecule..
该合成产生了纯度为98%的30 mg正确的尼马曲韦立体异构体,以及1 mg规模的50多种类似物。这些功能是药物发现计划的理想选择,这些计划需要从命中中快速产生多种复杂的化学物质,或者探索铅分子周围的大化学空间。。
“Our original goal was to liberate AI-based molecule design from the diversity constraints of commercial libraries, and long iteration cycles of outsourced manual chemical synthesis,” said Thras Karydis, CTO, DeepCure. “Our platform makes chemical synthesis an enabler of drug design rather than a barrier.
DeepCure首席技术官Thras Karydis说:“我们最初的目标是将基于人工智能的分子设计从商业图书馆的多样性限制和外包的手动化学合成的长迭代周期中解放出来。”。“我们的平台使化学合成成为药物设计的推动者,而不是障碍。
I’m convinced that automated synthesis will not only benefit drug discovery, but thousands of other applications ranging from OLED displays to safer household and agricultural products.”.
我相信,自动化合成不仅有利于药物的发现,而且还有数千种其他应用,从OLED显示器到更安全的家用和农产品。”。
Inspired Chemistry™ is one of the most advanced chemical synthesis platforms in the world. It offers rapid synthesis of compounds within the United States to accelerate design-make-test-analyze (DMTA) cycles. The platform incorporates hundreds of technical innovations in chemistry automation, software, and process design.
Inspired Chemistry™是世界上最先进的化学合成平台之一。它在美国提供化合物的快速合成,以加速设计-制造-测试-分析(DMTA)循环。该平台融合了化学自动化、软件和工艺设计方面的数百项技术创新。
DeepCure is filing multiple patent applications and plans to extend its leadership position with additional inventions that expand the complexity, chemical diversity, and throughput of molecules..
DeepCure正在提交多项专利申请,并计划通过更多的发明来扩大其领导地位,这些发明扩大了分子的复杂性,化学多样性和通量。。
About DeepCure
关于DeepCure
DeepCure was founded by researchers at MIT to accelerate breakthrough therapies using artificial intelligence (AI) and AI-enabling technologies to innovate small molecule discovery. The company is based in Boston, MA, and its engineers, chemists, and biologists closely collaborate to find solutions that will have an enormous impact on patient health.
DeepCure由麻省理工学院的研究人员创立,旨在利用人工智能(AI)和人工智能技术创新小分子发现,加速突破性治疗。该公司总部位于马萨诸塞州波士顿,其工程师、化学家和生物学家密切合作,寻找对患者健康产生巨大影响的解决方案。
For more information, visit www.deepcure.ai..
有关更多信息,请访问www.deepcure.ai。。