Abstract
Naturally occurring and synthetic peptides may be a novel class of clinically useful antibiotics. A large body of experimental data on structure function relationships for such peptides is available, but the molecular mechanism of their action remains elusive in most cases. Computer simulations can give detailed insights into the interactions between peptides and lipid bilayers, at least one crucial step in the antimicrobial mechanism. Here we review recent simulations of antimicrobial peptides and discuss potential future contributions of computer simulations in understanding and ultimately designing antimicrobial peptides.
Keywords: Antimicrobial peptides, molecular dynamics simulation, lipid bilayers, micelle, drug design
Current Medicinal Chemistry
Title: Computer Simulation of Antimicrobial Peptides
Volume: 14 Issue: 26
Author(s): Edit Matyus, Christian Kandt and D. Peter Tieleman
Affiliation:
Keywords: Antimicrobial peptides, molecular dynamics simulation, lipid bilayers, micelle, drug design
Abstract: Naturally occurring and synthetic peptides may be a novel class of clinically useful antibiotics. A large body of experimental data on structure function relationships for such peptides is available, but the molecular mechanism of their action remains elusive in most cases. Computer simulations can give detailed insights into the interactions between peptides and lipid bilayers, at least one crucial step in the antimicrobial mechanism. Here we review recent simulations of antimicrobial peptides and discuss potential future contributions of computer simulations in understanding and ultimately designing antimicrobial peptides.
Export Options
About this article
Cite this article as:
Matyus Edit, Kandt Christian and Tieleman Peter D., Computer Simulation of Antimicrobial Peptides, Current Medicinal Chemistry 2007; 14 (26) . https://dx.doi.org/10.2174/092986707782360105
DOI https://dx.doi.org/10.2174/092986707782360105 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
Call for Papers in Thematic Issues
Advances in Medicinal Chemistry: From Cancer to Chronic Diseases.
The broad spectrum of the issue will provide a comprehensive overview of emerging trends, novel therapeutic interventions, and translational insights that impact modern medicine. The primary focus will be diseases of global concern, including cancer, chronic pain, metabolic disorders, and autoimmune conditions, providing a broad overview of the advancements in ...read more
Approaches to the treatment of chronic inflammation
Chronic inflammation is a hallmark of numerous diseases, significantly impacting global health. Although chronic inflammation is a hot topic, not much has been written about approaches to its treatment. This thematic issue aims to showcase the latest advancements in chronic inflammation treatment and foster discussion on future directions in this ...read more
Cellular and Molecular Mechanisms of Non-Infectious Inflammatory Diseases: Focus on Clinical Implications
The Special Issue covers the results of the studies on cellular and molecular mechanisms of non-infectious inflammatory diseases, in particular, autoimmune rheumatic diseases, atherosclerotic cardiovascular disease and other age-related disorders such as type II diabetes, cancer, neurodegenerative disorders, etc. Review and research articles as well as methodology papers that summarize ...read more
Chalcogen-modified nucleic acid analogues
Chalcogen-modified nucleosides, nucleotides and oligonucleotides have been of great interest to scientific research for many years. The replacement of oxygen in the nucleobase, sugar or phosphate backbone by chalcogen atoms (sulfur, selenium, tellurium) gives these biomolecules unique properties resulting from their altered physical and chemical properties. The continuing interest in ...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
-
Modeling the Conformation of Side Chains in Proteins: Approaches, Problems and Possible Developments
Current Chemical Biology Nanomagnets-From Fundamental Physics to Biomedicine
Current Nanoscience Hemopoietic Cells with Features of the Mast Cell and Basophil Lineages and their Potential Role in Allergy
Current Drug Targets - Inflammation & Allergy Chest Pain in Children
Current Pediatric Reviews Ultrasound-Directed Drug Delivery
Current Pharmaceutical Biotechnology Cardiovascular Diseases in Pregnancy - A Brief Overview
Current Cardiology Reviews Suicide and Genetic Biomarkers: Toward Personalized Tailored-treatment with Lithium and Clozapine
Current Pharmaceutical Design The Effect of the Sweeped Magnetic Field and Interface Magnetic Dilution on the Exchange Bias and Coercivity for FM/AFM Films
Current Nanoscience Bosentan in Pediatric Patients with Pulmonary Arterial Hypertension
Current Vascular Pharmacology Pulmonary Arterial Hypertension in HIV-infected Patients
Current Hypertension Reviews Protein Targeting Constructs in Alpha Therapy
Current Radiopharmaceuticals Genetics and Personalized Medicine in Antidepressant Treatment
Current Pharmaceutical Design Generalized-Ensemble Algorithms for Protein Folding and Unfolding
Current Physical Chemistry Principles, Challenges and Advances in ab initio Protein Structure Prediction
Protein & Peptide Letters Metabotropic Glutamate Receptors as Therapeutic Targets for Cognitive Disorders
Current Topics in Medicinal Chemistry Anesthesia Issues in Central Nervous System Disorders
Current Aging Science Conformational Sampling Techniques
Current Pharmaceutical Design Pathophysiology of Platelet Resistance to Anti-Aggregating Agents in Insulin Resistance and Type 2 Diabetes: Implications for Anti-Aggregating Therapy
Cardiovascular & Hematological Agents in Medicinal Chemistry Angiogenesis as Risk Factor for Plaque Vulnerability
Current Pharmaceutical Design Molecular Methods for Individualization of Psychotropic Drug Treatment
Current Pharmacogenomics