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Int. J. Mol. Sci. 2011, 12(8), 5304-5318; doi:10.3390/ijms12085304
Review

Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor

1
, 2
 and 1,3,*
Received: 23 February 2011; in revised form: 4 August 2011 / Accepted: 11 August 2011 / Published: 17 August 2011
(This article belongs to the Special Issue A Systematic Development Method for Rational Drug Design)
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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.
Keywords: pharmacophore; quantitative structure-activity relationships; ATP synthase ligands pharmacophore; quantitative structure-activity relationships; ATP synthase ligands
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Lee, C.-H.; Huang, H.-C.; Juan, H.-F. Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor. Int. J. Mol. Sci. 2011, 12, 5304-5318.

AMA Style

Lee C-H, Huang H-C, Juan H-F. Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor. International Journal of Molecular Sciences. 2011; 12(8):5304-5318.

Chicago/Turabian Style

Lee, Chia-Hsien; Huang, Hsuan-Cheng; Juan, Hsueh-Fen. 2011. "Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor." Int. J. Mol. Sci. 12, no. 8: 5304-5318.


Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert