Next Article in Journal
Microwave-Assisted Extraction of Oleanolic Acid and Ursolic Acid from Ligustrum lucidum Ait
Previous Article in Journal
Characterization of Thermophilic Halotolerant Aeribacillus pallidus TD1 from Tao Dam Hot Spring, Thailand
Previous Article in Special Issue
Systematic Approaches towards the Development of Host-Directed Antiviral Therapeutics
 
 
Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
Journals
IJMS
Volume 12
Issue 8
10.3390/ijms12085304
ijms-logo
Submit to this Journal Review for this Journal Propose a Special Issue
► Article Menu

Article Menu

share Share announcement Help format_quote Cite question_answer Discuss in SciProfiles
first_page
settings
Order Article Reprints
Font Type:
Arial Georgia Verdana
Font Size:
Aa Aa Aa
Line Spacing:
Column Width:
Background:
Review

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

by
Chia-Hsien Lee
1,
Hsuan-Cheng Huang
2 and
Hsueh-Fen Juan
1,3,*
1
Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, Taipei 106, Taiwan
2
Institute of Biomedical Informatics and Center for Systems and Synthetic Biology, National Yang-Ming University, Taipei 112, Taiwan
3
Institute of Molecular and Cellular Biology and Department of Life Science, National Taiwan University, Taipei 106, Taiwan
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2011, 12(8), 5304-5318; https://doi.org/10.3390/ijms12085304
Submission received: 23 February 2011 / Revised: 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)
Browse Figures
Versions Notes

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

Share and Cite

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. https://doi.org/10.3390/ijms12085304

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. https://doi.org/10.3390/ijms12085304

Chicago/Turabian Style

Lee, Chia-Hsien, Hsuan-Cheng Huang, and Hsueh-Fen Juan. 2011. "Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor" International Journal of Molecular Sciences 12, no. 8: 5304-5318. https://doi.org/10.3390/ijms12085304

APA Style

Lee, C.-H., Huang, H.-C., & Juan, H.-F. (2011). Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor. International Journal of Molecular Sciences, 12(8), 5304-5318. https://doi.org/10.3390/ijms12085304

Article Metrics

Back to TopTop