Progress of Computer-Aided Drug Design (CADD) of Proteasome Inhibitors

Title: Progress of Computer-Aided Drug Design (CADD) of Proteasome Inhibitors

Volume: 11 Issue: 23

Author(s): Meng Lei, Yunde Liu, Yongqiang Zhu and Zhenming Liu

Affiliation:

Keywords: Proteasome inhibitor, Computer-aided drug design, Rational drug design, biological targets, polyubiquitin chains, constitutive proteasome, drug discovery, N-terminal threonine, nucleophilic attack, amide compounds, biologically evaluated, CH hydrogen and electron system, hydrogen bonds, ubiquitin-proteasome pathway

Abstract: The target proteasome has been the focus of drug discovery since the first drug bortezomib was launched in 2003. Many structurally diverse proteasome inhibitors were discovered and even some of them entered the clinical trials. Due to rapid technological progress in chemistry, bioinformatics, structural biology and computer technology, computeraided drug design (CADD) plays a more and more important role in todays drug discovery. Many CADD technologies were employed in designing various inhibitors of proteasome in the past years. This review gives a global description of the development of computer-aided proteasome inhibitor design by using different commercial or academic software. The binding modes of some structurally novel inhibitors with proteasome were visualized with these new technologies.

Cite this article as:

Lei Meng, Liu Yunde, Zhu Yongqiang and Liu Zhenming, Progress of Computer-Aided Drug Design (CADD) of Proteasome Inhibitors, Current Topics in Medicinal Chemistry 2011; 11 (23) . https://dx.doi.org/10.2174/156802611798281366