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首页> 外文会议>1999 International Conference on Modeling and Simulation of Microsystems Apr 19-21, 1999, San Juan, Puerto Rico, USA >Biotechnology, Drug Discovery, and Biomedical Research In Silico: The State of the Art
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Biotechnology, Drug Discovery, and Biomedical Research In Silico: The State of the Art

机译：Silico的生物技术，药物发现和生物医学研究：最新状态

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摘要

During the last two decades, new techniques and advancements have added layers of complexity to the research done in biotechnology, drug discovery, and biomedical research. Many of the techniques developed have been computational in nature: in effect, taking their particular disciplines in silico (that is, to be executed within the computer). Often, these techniques are lumped under the term of 'biomedical computing'. To visualize these advancements, compare the 'traditional' drug discovery cycle (Figure 1) used by many companies until the early-1980's with the current biological target-based drug discovery cycle (Figure 2) used by most pharmas and biotech concerns today. In the 'traditional' cycle, an initial lead compound was found by isolating a molecule with a certain biological activity, perhaps by ethanobotany or by fortuitous happenstance (as in the discovery of penicillin); modifications of this lead compound were planned using clues provided by a crude analysis of structure-activity relationships (SAR) or by traditional medicinal chemistry techniques. The new, modified compounds were then synthesized and retested. This cycle continued until the particular biological activity of the compound was maximized. This cycle, while successful, was not rapid. It often took 5-6 years to bring a drug to the preclinical phase.
机译：在过去的二十年中，新技术和进步为生物技术，药物发现和生物医学研究中的研究增加了复杂性。开发的许多技术本质上都是计算性的：实际上，它们采用计算机技术（即在计算机内执行）的特定学科。通常，这些技术被统称为“生物医学计算”。为了可视化这些进展，请将直到1980年代初期许多公司使用的“传统”药物发现周期（图1）与当今大多数制药和生物技术公司所使用的当前基于生物靶标的药物发现周期（图2）进行比较。在“传统”循环中，最初的先导化合物是通过分离具有一定生物学活性的分子而发现的，可能是通过植物烟碱或偶然的偶然事件（如青霉素的发现）。通过对结构-活性关系（SAR）进行粗略分析或通过传统药物化学技术提供线索，计划对这种先导化合物进行修饰。然后合成新的改性化合物并重新测试。该循环持续直到该化合物的特定生物活性最大化。这个周期虽然成功，但并不迅速。将药物带入临床前阶段通常需要5-6年的时间。

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