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.
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
Current Topics in Medicinal Chemistry
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.
Export Options
About this article
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
DOI https://dx.doi.org/10.2174/156802611798281366 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
Call for Papers in Thematic Issues
Chemistry Based on Natural Products for Therapeutic Purposes
The development of new pharmaceuticals for a wide range of medical conditions has long relied on the identification of promising natural products (NPs). There are over sixty percent of cancer, infectious illness, and CNS disease medications that include an NP pharmacophore, according to the Food and Drug Administration. Since NP ...read more
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-Aided Drug Design
Drug development discovery has faced several challenges over the years. In fact, the evolution of classical approaches to modern methods using computational methods, or Computer-Aided Drug Design (CADD), has shown promising and essential results in any drug discovery campaign. Among these methods, molecular docking is one of the most notable ...read more
Drug Discovery in the Age of Artificial Intelligence
In the age of artificial intelligence (AI), we have witnessed a significant boom in AI techniques for drug discovery. AI techniques are increasingly integrated and accelerating the drug discovery process. These developments have not only attracted the attention of academia and industry but also raised important questions regarding the selection ...read more
From Biodiversity to Chemical Diversity: Focus of Flavonoids
Flavonoids are the largest group of polyphenols, plant secondary metabolites arising from the essential aromatic amino acid phenylalanine (or more rarely from tyrosine) via the phenylpropanoid pathway. The flavan nucleus is the basic 15-carbon skeleton of flavonoids (C6-C3-C6), which consists of two phenyl rings (A and B) and a heterocyclic ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
11C-Choline PET/CT based Helical Tomotherapy as Treatment Approach for Bone Metastases in Recurrent Prostate Cancer Patients
Current Radiopharmaceuticals Novel Anticancer Targets and Drug Discovery in Post Genomic Age
Current Medicinal Chemistry - Anti-Cancer Agents Immune Modulation of Asian Folk Herbal Medicines and Related Chemical Components for Cancer Management
Current Medicinal Chemistry The Role of Saffron in Attenuating Age-related Oxidative Damage in Rat Hippocampus
Recent Patents on Food, Nutrition & Agriculture Recent Developments in Nanomedicines for Management of Various Health Issues Via Metabolism and Physico-Chemical Properties
Current Drug Metabolism Azoles: Mode of Antifungal Action and Resistance Development. Effect of Miconazole on Endogenous Reactive Oxygen Species Production in Candida albicans
Anti-Infective Agents in Medicinal Chemistry Cellular FLICE-Like Inhibitory Protein (C-FLIP): A Novel Target for Cancer Therapy
Current Cancer Drug Targets Radiopharmaceuticals Labelled with Copper Radionuclides: Clinical Results in Human Beings
Current Radiopharmaceuticals Transcriptional Regulation of mPGES1 in Cancer: An Alternative Approach to Drug Discovery?
Current Drug Targets A Critical Systematic Review of Recent Clinical Trials Comparing Open Retropubic, Laparoscopic and Robot-Assisted Laparoscopic Radical Prostatectomy
Reviews on Recent Clinical Trials Synthesis and Biological Evaluation of Triazole-Vanillin Molecular Hybrids as Anti-Cancer Agents
Current Bioactive Compounds Natural Endoperoxides as Drug Lead Compounds
Current Medicinal Chemistry Hsp90: A Novel Target for Cancer Therapy
Current Topics in Medicinal Chemistry Multimodality Imaging of CXCR4 in Cancer: Current Status towards Clinical Translation
Current Molecular Medicine Recent Advances in Receptor-Targeted Fluorescent Probes for In Vivo Cancer Imaging
Current Medicinal Chemistry Immunotherapy and Cancer Vaccines in the Management of Breast Cancer
Current Pharmaceutical Design Ferritin and Percent Transferrin Saturation Levels Predict Type 2 Diabetes Risk and Cardiovascular Disease Outcomes
Current Diabetes Reviews Non-coding RNAs in Exosomes: New Players in Cancer Biology
Current Genomics Biomarkers of Protein Oxidation in Human Disease
Current Molecular Medicine DNA Methyltransferase Inhibitors and their Therapeutic Potential
Current Topics in Medicinal Chemistry