Integrated Teaching of Structure-Based Drug Design and Biopharmaceutics: A Computer-Based Approach
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- 作者：Brian T. Sutch ; Rebecca M. Romero ; Nouri Neamati ; Ian S. Haworth
- 刊名：Journal of Chemical Education
- 出版年：2012
- 出版时间：January 1, 2012
- 年：2012
- 卷：89
- 期：1
- 页码：45-51
- 全文大小：842K
- 年卷期：v.89,no.1(January 1, 2012)
- ISSN：1938-1328
文摘
Rational drug design requires expertise in structural biology, medicinal chemistry, physiology, and related fields. In teaching structure-based drug design, it is important to develop an understanding of the need for early recognition of molecules with 鈥渄rug-like鈥?properties as a key component. That is, it is not merely sufficient to teach students how to design an effective inhibitor for a particular protein; instead, it is important to convey the need for simultaneous consideration of biopharmaceutical properties that will optimize the chances of the inhibitor becoming a drug. These are advanced concepts, but they can be addressed through computer-based methods. Here, an educational approach using a case study is described in which students 鈥渄esign鈥?a potential drug through use of software, most of which is Web-based and freely available.