人工智慧能够创造诗歌和文章、打造能响应的游戏角色、分析庞大的数据,并发现人眼可能遗漏的规律。想象一下,AI可以为药物发现做些什么,这通常是从实验室到病床上一次耗时费用很高的过程。

专家们看到了使用AI和基于结构的药物发现这两种方法相互补充的巨大潜力。基于结构的药物发现是依赖于对生物目标的3D结构知识的计算方法。

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From 2023 to 2030, the Virtual Distance Learning market will be examined in terms of trends, size, share, competitive landscape, and projected CAGR of 8.1%.

最近,《自然》期刊上发表的一篇文章由USC Dornsife文学、艺术和科学学院和USC Michelson Convergent Bioscience中心的数量和计算生物学和化学副教授Vsevolod “Seva” Katritch撰写。 Katritch是USC Michelson Center 新技术药物发现和开发中心(CNT3D)的副主任。该论文由USC研究科学家Anastasiia Sadybekov共同撰写,描述了计算方法如何简化药物发现。

请问什么原因导致我们处于这个关键时刻?

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Order Fulfillment System market outlook study offers a thorough analysis of industry insights for 2023 to 2030, possible growth prospects and market size with a predicted CAGR of 4.6%

在过去的几年里,计算药物发现发生了一次地震性的转变:临床相关,涉及人类蛋白结构和与它们相关的分子的数据可用性爆发式增长,药物类似分子的大量化合物库,近乎无限的计算能力和新的更有效的计算方法。最新的兴奋源于基于AI的药物发现,但更强大的是基于AI和基于结构的药物发现方法的结合,两种方法相互协作。

过去药物发现是如何完成的?

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传统的药物发现主要是通过试错进行的,这是一个缓慢而昂贵的过程,平均需要15年和20亿美元。从目标选择到先导物优化的每一个步骤都有高流失率。最大的时间和成本节约机会存在于早期发现和临床前阶段。

早期阶段发生了什么?

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让我们用锁和钥匙的比喻来说明。目标受体是锁,阻滞或激活目标受体的药物是锁匙。 (当然,引申到生物学领域,没有黑与白之分,所以有些密钥比其他密钥更符合要求,锁也稍微有些可变。)

拿莲花泰最畅销的药物为例,它的目标是位于肝脏胆固醇合成过程中的酶。酶上的一个受体就是锁。莲花泰是一个钥匙,可以插入锁中并阻止酶的活动,触发一系列的事件降低血液中的坏胆固醇水平。

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现在,计算方法允许我们在数字上建模数十亿甚至数万亿的虚拟钥匙,并预测哪些是最有可能是好钥匙。只有几十个最佳候选密钥是化学合成和测试的。

这听起来

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In Other News Around the World:

From 2023 to 2030, the Virtual Distance Learning market will be examined in terms of trends, size, share, competitive landscape, and projected CAGR of 8.1%.

Order Fulfillment System market outlook study offers a thorough analysis of industry insights for 2023 to 2030, possible growth prospects and market size with a predicted CAGR of 4.6%

The IT Outsourcing Solutions market size is thoroughly examined in this report, including its growing market size at a 7.6% CAGR from 2023 to 2030, as well as its market challenges analysis, sales volume, share, and forecast research.

A detailed examination of the Network Firewalls market Size along with its 11.2% CAGR for the period between 2023 and 2030.

Forecasting a Explosive Growth Ahead with a CAGR of 5.2% on the Hydrosurgery System Market from 2023 – 2030

Renal Drugs market study identifies new markets and industries to target from 2023 to 2030 and its projected CAGR Value of 13.2%

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