Abstract
This paper provides an overview of computational de novo protein design methods, highlighting recent advances and successes. Four protein systems are described that are important targets for drug design: human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases. Target areas for drug design for each protein are described, along with known inhibitors, focusing on peptidic inhibitors, but also describing some small-molecule inhibitors. Computational design methods that have been employed in elucidating these inhibitors for each protein are outlined, along with steps that can be taken in order to apply computational protein design to a system that has mainly used experimental methods to date.
Keywords: Computational protein design, human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, histone demethylases
Current Drug Targets
Title: Computational Methods for De novo Protein Design and its Applications to the Human Immunodeficiency Virus 1, Purine Nucleoside Phosphorylase, Ubiquitin Specific Protease 7, and Histone Demethylases
Volume: 11 Issue: 3
Author(s): M. L. Bellows and C. A. Floudas
Affiliation:
Keywords: Computational protein design, human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, histone demethylases
Abstract: This paper provides an overview of computational de novo protein design methods, highlighting recent advances and successes. Four protein systems are described that are important targets for drug design: human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases. Target areas for drug design for each protein are described, along with known inhibitors, focusing on peptidic inhibitors, but also describing some small-molecule inhibitors. Computational design methods that have been employed in elucidating these inhibitors for each protein are outlined, along with steps that can be taken in order to apply computational protein design to a system that has mainly used experimental methods to date.
Export Options
About this article
Cite this article as:
Bellows L. M. and Floudas A. C., Computational Methods for De novo Protein Design and its Applications to the Human Immunodeficiency Virus 1, Purine Nucleoside Phosphorylase, Ubiquitin Specific Protease 7, and Histone Demethylases, Current Drug Targets 2010; 11 (3) . https://dx.doi.org/10.2174/138945010790711914
DOI https://dx.doi.org/10.2174/138945010790711914 |
Print ISSN 1389-4501 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-5592 |
- 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
Related Articles
-
Gonadotropin-Releasing Hormone Receptor System: Modulatory Role in Aging and Neurodegeneration
CNS & Neurological Disorders - Drug Targets Thiophene Ring-opening Reactions III: One-Pot Synthesis and Antitumor Activity of 1,3,4-Thiadiazoline–Benzothiazolo[3,2-<i>b</i>]pyridazine Hybrids†
Current Organic Synthesis Advances of Phenoxazines: Synthesis, Reactivity and Their Medicinal Applications
Current Medicinal Chemistry Editorial (Thematic Issue: Induced Cell-Based Transplantation to Therapeutically Target Spinal Cord Disorders)
Current Stem Cell Research & Therapy Applications of Exosomes in Targeted Drug Delivery for the Treatment of Parkinson’s Disease: A Review of Recent Advances and Clinical Challenges
Current Topics in Medicinal Chemistry Pharmacogenetic Aspects of Therapy with Cholinesterase Inhibitors: The Role of CYP2D6 in Alzheimers Disease Pharmacogenetics
Current Alzheimer Research Microglial Senescence
CNS & Neurological Disorders - Drug Targets Targeting the Tumor Proteasome as a Mechanism to Control the Synthesis and Bioactivity of Matrix Macromolecules
Current Molecular Medicine Plant Extracts: Search for New Alternatives to Treat Microbial Diseases
Current Pharmaceutical Biotechnology Yeast as a Powerful Model System for the Study of Apoptosis Regulation by Protein Kinase C Isoforms
Current Pharmaceutical Design Mitochondrial DNA Mutations in Cancer: A Review
Current Topics in Medicinal Chemistry Docking of Natural Products against Neurodegenerative Diseases: General Concepts
Combinatorial Chemistry & High Throughput Screening Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based on in silico Drug Design
Current Neuropharmacology Redox Processes in Neurodegenerative Disease Involving Reactive Oxygen Species
Current Neuropharmacology Different Generations of Type-B Monoamine Oxidase Inhibitors in Parkinson’s Disease: From Bench to Bedside
Current Neuropharmacology Heavy Metal Toxicity in Humans and its Preventive and Control Measures
Current Nutrition & Food Science Metals and Parkinson's Disease: Mechanisms and Biochemical Processes
Current Medicinal Chemistry Retinoic Acid Induced 1, RAI1: A Dosage Sensitive Gene Related to Neurobehavioral Alterations Including Autistic Behavior
Current Genomics Patent Selections
Recent Patents on Biomarkers New Tracers and New Perspectives for Molecular Imaging in Lewy Body Diseases
Current Medicinal Chemistry