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Reviewing ligand-based rational drug design: the search for an ATP synthase inhibitor.

Abstract：

:Following major advances in the field of medicinal chemistry, novel drugs can now be designed systematically, instead of relying on old trial and error approaches. Current drug design strategies can be classified as being either ligand- or structure-based depending on the design process. In this paper, by describing the search for an ATP synthase inhibitor, we review two frequently used approaches in ligand-based drug design: The pharmacophore model and the quantitative structure-activity relationship (QSAR) method. Moreover, since ATP synthase ligands are potentially useful drugs in cancer therapy, pharmacophore models were constructed to pave the way for novel inhibitor designs.

journal_name

Int J Mol Sci

journal_title

International journal of molecular sciences

authors

Lee CH,Huang HC,Juan HF

doi

10.3390/ijms12085304

subject

Has Abstract

pub_date

2011-01-01 00:00:00

pages

5304-18

issue

8

issn

1422-0067

pii

ijms-12-05304

journal_volume

12

pub_type

杂志文章,评审

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