Is there a future for computational chemistry in drug research?

被引:3
|
作者
Maggiora, Gerald M. [1 ,2 ]
机构
[1] Univ Arizona, Coll Pharm, Tucson, AZ 85721 USA
[2] Translat Genom Res Inst, Phoenix, AZ USA
关键词
Computational chemistry; Biological reductionism; Emergent properties; Systems biology; Polypharmacology; Drug design;
D O I
10.1007/s10822-011-9493-2
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Improvements in computational chemistry methods have had a growing impact on drug research. But will incremental improvements be sufficient to ensure this continues? Almost all existing efforts to discover new drugs depend on the classic one target, one drug paradigm, although the situation is changing slowly. A new paradigm that focuses on a more systems biology approach and takes account of the reality that most drugs exhibit some level of polypharmacology is beginning to emerge. This will bring about dramatic changes that can significantly influence the role that computational methods play in future drug research. But these changes require that current methods be augmented with those from bioinformatics and engineering if the field is to have a significant impact on future drug research.
引用
收藏
页码:87 / 90
页数:4
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