开发比传统单一药物治疗更具特异性且副作用更少的药物组合多组分治疗(CMCT)。

Larry S Liebovitch, Nicholas Tsinoremas, Abhijit Pandya
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引用次数: 7

摘要

针对特定目标设计的药物通常被发现具有多重效果。与其寄希望于一颗子弹只能命中一个目标,基因组和蛋白质组学网络之间的非线性相互作用可以用来设计更有针对性、副作用更少的组合多组分疗法(CMCT)。我们在这里展示了如何使用计算方法来预测哪种药物组合将产生最佳效果。利用输出效应如何依赖于多个输入药物的非线性模型,我们证明了人工神经网络仅使用单个和成对每次呈现的药物输出效应的有限数据就可以准确预测所有215 = 32,768种药物输入组合的效果。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Developing combinatorial multi-component therapies (CMCT) of drugs that are more specific and have fewer side effects than traditional one drug therapies.

Developing combinatorial multi-component therapies (CMCT) of drugs that are more specific and have fewer side effects than traditional one drug therapies.

Developing combinatorial multi-component therapies (CMCT) of drugs that are more specific and have fewer side effects than traditional one drug therapies.

Drugs designed for a specific target are always found to have multiple effects. Rather than hope that one bullet can be designed to hit only one target, nonlinear interactions across genomic and proteomic networks could be used to design Combinatorial Multi-Component Therapies (CMCT) that are more targeted with fewer side effects. We show here how computational approaches can be used to predict which combinations of drugs would produce the best effects. Using a nonlinear model of how the output effect depends on multiple input drugs, we show that an artificial neural network can accurately predict the effect of all 215 = 32,768 combinations of drug inputs using only the limited data of the output effect of the drugs presented one-at-a-time and pairs-at-a-time.

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