方法：计算机辅助药物设计的分子对接方法。
METHODS: Docking algorithm of computer aided molecular design as described in this paper.
合理化药物设计利用靶分子和其结合分子的高分辩率结构。
Rational drug design (also known as structure-based drug design) uses the high-resolution (atomic) structure of the target molecule, and of molecules that bind to it.
该蛋白药物设计抑制限制肌肉生长的筒箭毒碱蛋白。
The potential medicine is designed to inhibit the protein myostatin, which limits muscle growth.
药物小分子合成；计算机辅助药物设计；化学生物学。
Structure-based drug molecule design and organic synthesis; Chemical biology.
这个小综述提到了对基于结构的药物设计有用的网站。
This mini-review mentions web sites that are useful in structure-based drug design.
另外，选用黄芩与秦皮两种药物设计配方二，配比为7：3。
In addition, Scutellaria and Cortex Fraxini were selected to design formulation II whose ratio was7:3.
这个研究得到卫生中心院药物设计中心和国家卫生研究所的赞助。
The study was funded by the Center for Drug Design, Academic Health Center and the National Institutes of Health.
研究人员开发夏娃用于未引起重视的热带疾病的药物设计和测试。
Researchers developed eve to design and test drugs for tropical and neglected diseases.
在《科学》杂志发表的研究称，这一发现开启了药物设计的新领域。
The findings could open up new areas for drug discovery, says the study published in Science.
蛋白质模型也被用于定相结晶数据，及在某些情况下，进行药物设计。
Protein models are also used for phasing of crystallographic data and, in some cases, for drug design.
模拟抑制剂与靶标分子的结合作用是计算机辅助药物设计的关键部分。
Modeling interaction between inhibitor and target molecule is a key step in CADD.
蛋白偶联受体属于跨膜蛋白的大家族，在药物设计中起着很重要的作用。
G-protein Coupled Receptors (GPCRs) belong to one of the largest superfamilies of membrane proteins and are important targets for drug design.
可用于生物分析、药物设计与开发，太阳能电池、光盘、照相感光等领域。
It may be used in biological analysis, medicament design and development, solar cell, optical disc photosensitization and other fields.
该文综述了药物靶标的发现、基于靶标的药物设计及其在新药研究中的应用前景。
This article reviews the drug target's discovery, drug design based on targets, as well as prospects in developing novel drug.
近年来，随着基因组计划的顺利进行，基因组学对药物设计有着巨大的冲击和影响。
In recent years, with the successful progress of Human Genome Project, genomics shows increasing influence on drug design.
这些药物设计为可以激活rna干扰，从而沉默具有与药物序列相符合的编码的基因。
The drugs are designed to activate RNA interference to silence a gene with a sequence of letters of the genetic code corresponding to the sequence in the drug.
由于HIV - 1整合酶的特殊功能，它已成为抗艾滋病药物设计工作的焦点之一。
Because of the special function of HIV-1 integrase, it has become one of focuses of anti-AIDS drug design.
美国的科学家使用了一种新的药物设计策略，以消除热门的抗癌药物对心脏产生的副作用。
Scientists in the us have used a new drug design strategy to remove the cardiac side-effects of a popular cancer drug.
当代药物设计是通过阐明药物与靶标相互作用的机理，对药物先导化合物进行改造和优化。
Drug design is based on the mechanisms of the drug and target interaction to achieve optimization of the leads.
背景：疾病相关蛋白质的蛋白质结构对进行抗一种特定疾病的基于结构的药物设计是重要的。
BACKGROUND: the protein structures of the disease-associated proteins are important for proceeding with the structure-based drug design to against a particular disease.
进一步根据药物设计的开环原理，用氨基脲片段替代氨基杂环，得到新型的氨基脲类抑制剂。
Furthermore, according to the ring-open principle, semicarbazide moiety was used to replace amino heterocycle to get semicarbazide derivatives.
利用晶体X射线衍射的方法获得药物与靶标复合物的结构，为药物设计提供最直接有力的依据。
The structures of drug-target complexes obtained by X-ray crystallography provide direct and convictive evidences for drug design.
查询得到的分子可以直接在北京大学药物设计系统(PKUDDS)中进行三维结构的显示和分析。
The obtained molecules can be transferred in to the Peking University Drug Design System (PKUDDS) for molecular visualization and analyses.
构建一种药物载体使其能顺利穿透细胞膜并在靶向部位释放，已成为药物设计中亟需解决的问题之一。
To design a new drug vector for promoting the agents across cellular membrane and releasing at the target issues is a persistent challenge.
对DNA的研究是生命科学研究中一个极其重要的方面，在药物筛选和药物设计中它是重要的作用靶点。
It is an important biological target in the drug screening and drug designing. Lots of anticancer drugs and antiviral drugs had effects on DNA.
通过基于分子结构的药物设计与高效筛选技术，以及免疫疗法的研究进展，已有若干药物可有效的治疗丙肝。
By employing a combination of structure-based drug design and high-throughput screening approaches, several useful compounds for treating HCV infections have been successfully introduced.
给出了各个代表性体系的应用价值。旨在对HIV - 1整合酶抑制剂药物设计及筛选平台的建立提供一定的参考。
The application value of each representative system was evaluated to provide some guidance for the platform established for the drug design and screening of HIV-1 integrase inhibitors.
如何在生物胺受体结构数据严重匮乏的基础上研究受体的配基结合位点及其它功能位点，已成为药物设计中的关键问题。
The principal question in drug design is how to study the ligand-binding sites and others because of the poor structure information.
综述了喜树碱及其衍生物的小分子、大分子和轭合物前药的研究进展，为新型喜树碱前药的合理药物设计提供一定参考。
The recent progress in low molecular, high molecular and couplet prodrugs of CPTs was reviewed in classified manner, provide a reference for the design of prodrugs of CPTs.
本发明巧妙地采用液相方法合成丝组环二肽，简单、有效，具有可观的经济实用价值，同时在药物设计合成领域具有广泛的应用前景。
The smart liquid phase process of synthesizing serine-histidine cyclic dipeptide is simple, effective and practical and has wide application foreground in medicine designing and synthesizing field.
应用推荐