Abstract
The formation of a protein-protein complex is responsible for many biological functions; therefore, threedimensional structures of protein complexes are essential for deeper understandings of protein functions and the mechanisms of diseases at the atomic level. However, compared with individual proteins, complex structures are difficult to solve experimentally because of technical limitations. Thus a method that can predict protein complex structures would be invaluable. In this study, we developed new software, FAMS Complex; a fully automated homology modeling system for protein complex structures consisting of two or more molecules. FAMS Complex requires only sequences and alignments of the target protein as input and constructs all molecules simultaneously and automatically. FAMS Complex is likely to become an essential tool for structure-based drug design, such as in silico screening to accelerate drug discovery before an experimental structure is solved. Moreover, in this post-genomic era when huge amounts of protein sequence information are available, a major goal is the determination of protein-protein interaction networks on a genomic scale. FAMS Complex will contribute to this goal, because its procedure is fully automated and so is suited for large-scale genome wide modeling.
Keywords: Homology modeling, protein complex structure, protein-protein interaction, structure-based drug design, protein interaction network
Medicinal Chemistry
Title: FAMS Complex: A Fully Automated Homology Modeling System for Protein Complex Structures
Volume: 2 Issue: 2
Author(s): Mayuko Takeda-Shitaka, Genki Terashi, Chieko Chiba, Daisuke Takaya and Hideaki Umeyama
Affiliation:
Keywords: Homology modeling, protein complex structure, protein-protein interaction, structure-based drug design, protein interaction network
Abstract: The formation of a protein-protein complex is responsible for many biological functions; therefore, threedimensional structures of protein complexes are essential for deeper understandings of protein functions and the mechanisms of diseases at the atomic level. However, compared with individual proteins, complex structures are difficult to solve experimentally because of technical limitations. Thus a method that can predict protein complex structures would be invaluable. In this study, we developed new software, FAMS Complex; a fully automated homology modeling system for protein complex structures consisting of two or more molecules. FAMS Complex requires only sequences and alignments of the target protein as input and constructs all molecules simultaneously and automatically. FAMS Complex is likely to become an essential tool for structure-based drug design, such as in silico screening to accelerate drug discovery before an experimental structure is solved. Moreover, in this post-genomic era when huge amounts of protein sequence information are available, a major goal is the determination of protein-protein interaction networks on a genomic scale. FAMS Complex will contribute to this goal, because its procedure is fully automated and so is suited for large-scale genome wide modeling.
Export Options
About this article
Cite this article as:
Takeda-Shitaka Mayuko, Terashi Genki, Chiba Chieko, Takaya Daisuke and Umeyama Hideaki, FAMS Complex: A Fully Automated Homology Modeling System for Protein Complex Structures, Medicinal Chemistry 2006; 2 (2) . https://dx.doi.org/10.2174/157340606776056160
DOI https://dx.doi.org/10.2174/157340606776056160 |
Print ISSN 1573-4064 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6638 |
Call for Papers in Thematic Issues
Carbohydrates in Computational and Medicinal Chemistry
Carbohydrates are the most essential organic molecules and are involved in the maintenance of various physiological and metabolic processes in living organisms. Carbohydrate-based compounds have come to the attention of researchers because of their significant contributions to biological functions, such as cell development and cell proliferation, connections between several cells, ...read more
Recent Advances in the Medicinal Chemistry of Cancer
Scope of the Thematic Issue: Correlation between structure and function is one of the important aspects of the success of anti-cancer compounds associated with their structure-activity interactions, physiology, biochemical, molecular, and genetic processes. Overcoming these obstacles is key to obtaining further insights into developments in rational drug design, bioorganic chemistry, ...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
Related Articles
-
Chemical Biology of mGlu4 Receptor Activation: Dogmas, Challenges, Strategies and Opportunities
Current Topics in Medicinal Chemistry Naturally Occurring and Related Synthetic Cannabinoids and their Potential Therapeutic Applications
Recent Patents on CNS Drug Discovery (Discontinued) Synthesis and First Evaluation of [<sup>18</sup>F]Fluorocyano- and [<sup>18</sup>F]Fluoronitroquinoxalinedione as Putative AMPA Receptor Antagonists
Medicinal Chemistry Pathway to the Clinic: Inhibition of P38 MAP Kinase. A Review of Ten Chemotypes Selected for Development
Current Topics in Medicinal Chemistry Discovery of Dual Orexin Receptor Antagonists (DORAs) for the Treatment of Insomnia
Current Topics in Medicinal Chemistry Cognitive Assessment of Dementia: The Need for an Inclusive Design Tool
Current Alzheimer Research Molecular Docking Demonstration of the Liquorice Chemical Molecules on the Protease and ACE2 of COVID-19 Virus
Current Enzyme Inhibition SARS Coronavirus Anti-Infectives
Recent Patents on Anti-Infective Drug Discovery Spontaneous Coronary Artery Dissection: Does Being Unemployed Matter? Insights from the GSCAD Registry
Current Cardiology Reviews Aromatic or Hetero-aromatic Directly Attached Tri and Tetrasubstituted Methanes: New Chemical Entities as Anti-Infectives
Current Medicinal Chemistry Computational Analysis of Phosphoproteomics: Progresses and Perspectives
Current Protein & Peptide Science Computational and Molecular Docking Studies of New Benzene Sulfonamide Drugs with Anticancer and Antioxidant Effects
Current Organic Synthesis Homology Modeling of Coronavirus Structural Proteins and Molecular Docking of Potential Drug Candidates for the Treatment of COVID-19
Coronaviruses Advances in Synthesis, Derivatization and Bioactivity of Isatin: A Review
Current Organic Synthesis Recent Progress on the Mangrove Plants: Chemistry and Bioactivity
Current Organic Chemistry Inhibitors of Glycine Transporter-1: Potential Therapeutics for the Treatment of CNS Disorders
Current Topics in Medicinal Chemistry Management of Dyslipidaemia for the Prevention of Stroke: Clinical Practice Recommendations from the Lipid Association of India
Current Vascular Pharmacology Phenanthrene Dimers: Promising Source of Biologically Active Molecules
Current Topics in Medicinal Chemistry WITHDRAWN: The Potential Role of Probiotics in the Management of COVID-19
Current Probiotics Clinical and Marketed Proteasome Inhibitors for Cancer Treatment
Current Medicinal Chemistry