先导化合物

一种先导化合物应具有治疗作用的特性

A lead compound will have some property considered therapeutically useful .

因此，它可以作为一种新型HIV-1进入抑制剂的先导化合物进一步研究。

Thus it may be used as lead compound of a new type of anti-HIV entry inhibitors for further study .

基于D1蛋白酶结构的抑制剂先导化合物的设计与合成

Structure-Based Design and Synthesis of the Lead Compounds of Novel D1 Protease Inhibitors

全新结构钾离子通道开放剂先导化合物的设计合成与QSAR的研究

Design and Synthesis of Novel Potassium Channel Openers and QSAR Studies

在本实验条件下，（E）-3-苯基丙烯酰胺类目标化合物3a、3b、3c具有抗炎作用，高于先导化合物1，（E）-3-苯基丙烯酸酯类目标化合物几乎无抗炎活性。

The anti-inflammation activities of target compounds 3a , 3b , 3c are higher than that of compound 1 .

初步研究表明，化合物3b是一种很好的先导化合物。

Preliminary studies indicate that compound 3b is a good leading compound .

进一步结构修饰和优化有望寻找到活性更高、生物利用度更好的MMP-2抑制剂先导化合物。

It is a chance to find a better precursor of MMP-2 inhibitors with activity and bioavailability by further optimization of compounds .

本论文的研究为先导化合物的优化打下了坚实的基础，推进了靶向HIV-1整合酶与LEDGF/p75相互作用界面的药物发现进程。

This study laid a solid foundation for lead optimization and pushed forward the drug discovery process targeting IN-LEDGF / p75interaction .

这些化合物是一类具有应用研究前景的先导化合物，对于开发新一代MMP抑制剂类抗肿瘤药物具有重要意义。

These compounds are promising lead compounds for application prospect and developing new generation of MMP inhibitors as antitumor agents .

单体化合物橄榄苦苷体内外抗HBV活性显著，在素馨花药材中含量丰富，具有进一步研究开发的潜力，可望成为抗HBV药物研究的新的天然先导化合物。

Oleuropein , which has notable anti-HBV activity in vitro and in vivo , might become a new leading natural compound for the synthesis and development of new anti-HBV drugs .

近年来，AD作为抗肿瘤、抗病毒药物开发的先导化合物已成为基于AD新药开发的热点之一。

In recent years , AD , as a lead compound for the synthesis of anti-tumor and anti-viral drugs , has become one of the hot spots in the new drug development area .

随着药物设计理论和方法的不断发展和完善，CADD在药物先导化合物发现和开发的过程中起到了日益重要的作用，目前己有不少成功的例子。

With the development of drug-design theory and methods , CADD plays a more and more important role in drug discovery and exploitation .

以芒果苷为先导化合物，合成了21个目标化合物，结构均经过~1HNMR、~（13）NMR、IR等方法确证，其中20个化合物为首次报道。

With mangiferin as the lead compound , twenty-one mangiferin derivatives were synthesized , and their structures were all confirmed by IR , ~ 1HNMR , ~ ( 13 ) CNMR , and MS etc. Twenty of them are first reported .

目的获得与骨肉瘤细胞株os-732特异结合的短肽，作为骨肉瘤靶向治疗的先导化合物。

Objective To obtain short peptides which bind specifically to osteosarcoma cells os-732 by means of screening from 12 peptide libraries .

目的确定可靠的筛选小分子人白介素6（IL6）受体拮抗剂先导化合物的细胞模型。

AIM To confirm R2 cells being reliable cell model to screen small molecular human interleukin-6 ( IL-6 ) receptor antagonists .

化合物2、3的细胞存活率也较先导化合物AKBA有一定程度地提高。

The cell survival rate of compounds 2 and 3 were improved to some extent comparing with that of AKBA .

Artabotrine并没有显示出很好的抑制活性，而其类似物6.2却对Hela细胞有比较强的抑制作用，可以作为进一步研究的先导化合物。

Artabotrine did not exhibit potent activity , while its analogue 6.2 was cytotoxic to Hela cells and could be a lead compound for further study .

本文针对已开发出的GSK-3抑制剂，对其结构、与蛋白的作用模式以及构效关系进行阐述，为进一步设计合理的药物先导化合物和特异性小分子化学探针提供有益的启示。

Information gained from their structures , binding modes and structure-activity relationships provides some clues for the future optimization of drug lead-compounds and selective chemical probes .

虚拟筛选是计算机辅助药物设计（CADD）中最重要的组成部分，在先导化合物的发现和优化过程中占有重要的地位。

Virtual screening ( VS ) is an important component of Computer-aided Drug Design ( CADD ) and plays an essential role in the process of lead finding and lead optimization .

目的获得与人前列腺癌细胞系PC3M细胞特异结合的短肽，作为人前列腺癌靶向治疗的先导化合物。

Objective Identified peptides bound specifically to PC3M human prostate adenocarcinoma cells for organ specific drug targeting .

因此研究凹顶藻Laurencia的化学成分，可以丰富人们对该种属的认识，同时对寻找新的药物先导化合物提供重要的依据。

So the study on chemical constituents towards Laurencia can enrich the knowledge of this genus and provide a new way for seeking the lead compounds of new medicine .

目的寻求能够抑制hIL-1β基因表达的植物活性成分，为新药开发提供先导化合物。

OBJECTIVE To seek the plant components which can inhibit expression of hIL-1 β mRNA , and offer the lead compounds for development of new drug .

以Iressa为先导化合物，设计合成了16个未见文献报道的新化合物。Iressa及其衍生物的化学结构经核磁共振氢谱、红外光谱和质谱确证。

With Iressa as the lead compound , sixteen new compounds which had not been reported in literatures were designed and synthesized and their chemical structures were confirmed by ~ 1H-NMR , IR and MS.

本文在前人研究的基础上，以PHR0007为先导化合物，按着新药设计原理合成了10个未见文献报道的化合物。

In this paper , according to the principles of new drug design , On the basis of former research the10 compounds guided by the lead compound PHR0007 were synthesized .

构效关系是以紫杉醇为先导化合物，通过C13侧链和二萜环侧链的改造以及生物学评价而建立的。

Being a leading compound , the structure activity relationship ( SAR ) of the taxol has been established through the structural modifications of C13 side chain and diterpenoid core of taxol , combined with biological evaluation of taxol analogs .

Me-too类药物开发是以临床Ⅲ期或上市药物为先导化合物，经结构修饰和改造，快速获得活性强、毒性低的候选新药物分子的模拟创新策略。

Me-too drug development is a kind of follow-up drug discovery strategy which can quickly obtain the strong activity and low toxicity candidate drug molecules that come from structure modification of clinical phase III stage or marketed drugs , called lead compounds .

由药效团进行虚拟活性结构生成与3D-QSAR模型相结合，筛选出有前途的结构多样性的化合物，并从中寻找活性先导化合物，是一种新的分子设计方法。

A new De Novo method for bio - active molecular design is presented , which combines virtual bio - active structural generation with 3D - QSAR study . This method could generate a lot of highly diverse molecules and find bio - active lead compounds .

2-乙内酰硫脲衍生物可以作为一类新的农药先导化合物。

2-Thiohydantoin derivatives can be made into novel pesticide precursor compounds .

寻找新的作为药物研究先导化合物的拓扑异构酶抑制剂。

We are searching for new topoisomerase poisons as potential lead compounds .

海洋微生物生存环境特殊，其次级代谢产物化学结构新颖、种类繁多，是新活性先导化合物的重要来源。

Marine microorganisms continue to be an important source of bioactive secondary metabolites .