Virtual combinatorial libraries: Dynamic generation of molecular and supramolecular diversity by self-assembly
Virtual combinatorial libraries: Dynamic generation of molecular and supramolecular diversity by self-assembly
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DOI：
10.1073/pnas.94.6.2106
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发表时间：
1997-03-18
影响因子：
11.1
通讯作者：
Lehn, JM
中科院分区：
文献类型：
--
作者：
Huc, I;Lehn, JM
分子和超分子的多样性可以分别通过基本组分的可逆、共价或非共价自组装产生，这些基本组分在数量和性质上的各种潜在组合代表了一个虚拟的组合库。这一概念被应用于通过醛和胺组分的可逆重组诱导碳酸酐酶（CA）抑制剂。研究发现，CA的存在有利于形成那些与CA活性位点结合最强的缩合化合物。虚拟组合文库方法可能是发现底物、抑制剂、受体、催化剂和各种工艺载体的有力方法。
Molecular and supramolecular diversity may be generated, respectively, by reversible, covalent or noncovalent self-assembly of basic components whose various potential combinations in number and nature represent a virtual combinatorial library, This concept is applied to the induction of inhibitors of carbonic anhydrase (CA) by reversible recombination of aldehyde and amine components, It is found that the presence of CA favors the formation of those condensation compounds that may be expected to present the strongest binding to the CA active site, The virtual combinatorial library approach may represent a powerful methodology for the discovery of substrates, inhibitors, receptors, catalysts, and carriers for a variety of processes.