配体设计

雌激素受体36亚型的同源模建以及配体设计

Homology modeling and ligand design of human estrogen receptor subtype 36

对接可分为两类：主要用于从头配体设计的细致对接和用于已知化合物数据库筛选以发现药物的粗略对接，它们对全局极小化算法的要求是不同的。

The detailed docking for de novo ligand design and the rough docking for known chemical database screening for drug discovery . Their demands for the global minimization algorithms are different .

以酚羟基Schiff碱为配体设计合成了十个单核过渡金属配合物。

Ten mononuclear complexes with phenolic hydroxyl Schiff base ligands have synthesized .

通过超分子排列方法用各种有机配体设计和合成大量的结构奇特的杂化多金属氧酸盐（POMs）引起了广泛关注，并加快了这类材料的发展。

The design and synthesis of novel compounds hybridizing polyoxometalates ( POMs ) with a variety of organic ligands through supramolecular arrays have aroused particular interest and accelerated the development of this new kind of materials .

分子模拟的研究表明：虽然类立方烷结构簇分子的值比较小，但是通过合理的配体设计，获得具有较大值非线性光学晶体是可能的。

Though cubane-like clusters show little values , our calculations indicate that it is possible to obtain NLO crystals with large values by further appropriate molecular design .

N，O-手性配体的设计合成及其在不对称加成反应中的应用研究

Design and Synthesis of Chiral N , O-Ligands and Their Applications in Asymmetric Addition Reactions

RGD肽与整合素αvβ3受体结合的构效关系及放射性标记配体的设计

The Structure-activity Relationship of RGD Peptides binding to α _ β _3 Integrin and Radiolabeled Ligand Design

寻找合适的配体成为设计和合成分子基磁性材料的主要方向。

Search for good ligands is main direction to synthesize molecular magnets .

三嗪及芴类配体的设计合成与配合物的自组装研究

Design , Synthesis , Self-Assembly of Triazine & Fluorene Ligand and Coordination Complex

手性膦配体的设计及不对称催化氢化反应

Design of chiral phosphine ligand and asymmetric hydrogenation

因此，手性催化反应的关键是手性配体的设计与合成。

So the key of asymmetric reaction is design and synthesis of the chiral ligands .

乙型肝炎表面抗原片段三维结构的同源模建及其配体的设计

Homology Modeling of Three-dimension Structure of Hepatitis B Surface Antigen Fragment and Its Ligand Design

在金属介入的不对称催化反应中，手性配体的设计合成扮演着极重要的角色。

The design and synthesis of effective chiral ligands play important roles in transition-metal catalyzed asymmetric reactions .

此结论可为高效手性膦配体的设计合成提供有价值的指导。

This conclusion can provide valuable guidance to the design and synthetic of efficient chiral phosphorus ligands .

选择合适的配体对设计铬（Ⅲ）配合物的结构及调节其生物化学性质有非常重要的作用。

Choosing suitable ligands is very important for designing the structure of the chromium complexes and modulating the biochemical properties .

平面手性二茂铁配体的设计、合成及其Pd-配合物在催化不对称烯丙基取代反应中的应用研究

Design and Synthesis of Chiral Ferrocene Based Ligands with Central and Planar Chirality and Their Applications in Pd-catalyzed Asymmetric Allylic Substitution

第二部分描述了新的手性环状ONNO-型配体的设计合成、表征和在不对称转移氢化反应中的应用。

The second part of this thesis fouses on designed synthesis , characterization of new chiral cyclic ONNO-type ligand and application in asymmetric hydrogenation .

综述有关多靶点配体药物设计的基本原理和方法，包括整合共有药效团法、轭合药效团法、可分解轭合药效团法及筛选法；

The basic principle and methodology of design for new drug with multiple ligands reported in recent years were reviewed , including overlapping pharmacophores , conjugated pharmacophores , cleavable conjugates and screening .

本论文研究了1,3-偶极环加成反应的手性金属催化剂的手性配体，设计了一系列以手性α-氨基酸为手性源的手性配体。

The article studied the chiral ligands of chiral metal catalysts in 1,3-dipolar cycloaddition reaction . We design a series of chiral ligands in which the chiral α - amino acid is chiral source .

CoMFA方法在基于配体的药物设计中做出了重要的贡献。

CoMFA has made significant contribution to ligand-based drug design .

多靶点配体与药物设计

The Multiple Ligands and Drug Design

以钉作为形成体，通过改变配体，可设计合成具有一定生物活性的钉配合物。

Ruthenium complexes with a certain biological activity can be designed and synthesized by changing the ligands .

基于受体&配体空间构象信息设计IL-6拮抗多肽

IL-6 Antagonist Designed Rationally on the Conformational Information of Ligand and Receptor

邻羟基醛类配体的荧光探针设计及不对称催化反应研究

Design of Fluorescence Probe and Study of Catalytic Asymmetric Reaction on O-Hydroxyl Aldehyde

并讨论多靶点配体与合理药物设计的关系以及设计中应注意的问题，为新药的研究与开发提供参考。

The relationship between multiple ligands and rational drug design and the issues worthy of note in design for new drug with multiple ligands were discussed . These would be helpful for the research and development of new drug .

过去几十年中，由于鲜有高普适性的配体出现，使得高效手性配体和催化剂的设计合成在不对称催化领域中扮演着重要角色。

Over the past several decades , only a few of ligands / catalysts have demonstrated high generality for different reactions . So the design and synthesis of effective chiral ligands / catalysts always play a significant role in asymmetric reactions .

不对称催化反应之所以能取得成功的一个重要因素就是手性配体的结构，同时，根据反应的特征进行新型配体的设计与合成仍是不对称催化反应的重中之重。

The structure of the chiral ligand has been an important factor of success for the asymmetric catalytic reactions , so , according to the response characteristics of the design and synthesis of new ligands is still the top priority of the catalytic asymmetric reaction .