reviewing ligand-based rational drug design the search for an atp synthase inhibitor回顾ligand-based理性药物设计寻找一个atp合酶抑制剂.pdfVIP

Int. J. Mol. Sci. 2011, 12, 5304-5318; doi:10.3390/ijm OPEN ACCESS International Journal of Molecular Sciences ISSN 1422-0067 /journal/ijms Review Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor 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; E-Mail: .tw 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 * Authors to whom correspondence should be addressed; E-Mails: hsuancheng@.tw (H.-C.H.); yukijuan@.tw (H.-F.J.); Tel.: +886-2-2826-7357 (H.-C.H.); +886-2-3366-4536 (H.-F.J.); Fax: +886-2-2367-3374 (H.-F.J.). Received: 23 February 2011; in revised form: 4 August 2011 / Accepted: 11 August 2011 / Published: 17 August 2011 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 use