Deterministic Design of Peptide-membrane Interactions PDF Download
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Languages : en
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Languages : en
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Author: Nuno C. Santos
Publisher:
ISBN: 9783039430239
Category :
Languages : en
Pages : 302
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Book Description
This book summarizes the importance of peptide-membrane interactions, mostly aiming at developing new therapeutic approaches. The experimental and computational methodologies used to investigate such interactions reveal the evolution of existing biophysical methodologies, shedding some light on potential applications of peptides, as well as on the improvement of their design. Understanding the determinants for peptide-membrane interactions may also improve the knowledge of membrane functions such as the membrane transport, fusion, and signaling processes, contributing to the development of new agents for highly relevant applications ranging from disease treatment to food technology.
Author: Miguel A. R. B. Castanho
Publisher: Internat'l University Line
ISBN: 0972077456
Category : Medical
Languages : en
Pages : 675
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Book Description
Author: Vibin Ramakrishnan
Publisher: Academic Press
ISBN: 0323985432
Category : Science
Languages : en
Pages : 297
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Book Description
De novo Peptide Design: Principles and Applications presents the latest developments in the fields of therapeutic peptides and bio-nanotechnology. The title focuses on the design of peptides, particularly how peptides may be tailored to specific functions. It includes computational and experimental protocols to assist in the design of peptides. Sections cover the basics of protein and peptide structure, modeling and simulation, solid phase peptide synthesis, peptide-based antibiotics, drug delivery, peptide nanomaterials, aromatic interactions directing nano-assembly, protein/peptide aggregation, therapeutic interventions against protein/peptide aggregation diseases, peptide based hydrogels, computational tools and algorithms for peptide design, and experimental protocols in peptide chemistry. In addition, the book covers key aspects in peptide design, providing a solution for researchers working within the 'peptidic universe' to create new therapeutic agents. Gives comprehensive coverage, including peptide design, modeling, synthesis and applications Presents emerging topics in the design of peptide-based therapeutics Details the latest developments in the fields of therapeutic peptides and bio-nanotechnology Considers peptide design and the tailoring of peptides to specific functions Offers computational tools and algorithms for peptide design and experimental protocols for peptide chemistry
Author: Philipp E. Schneggenburger
Publisher:
ISBN: 9783839167120
Category :
Languages : en
Pages : 222
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Book Description
Proteins in biological membranes represent up to 30% of all proteins in sequenced genomes. While certain membrane proteins are functional as monomers others need to assemble into oligomeric structures to carry out their biochemical role. Due to the complexity and dynamics of these interactions, they are often hardly traceable and nearly impossible to predict. For this respect, peptide model systems provide a valuable tool in studying membrane associated processes, since they are synthetically accessible and can be readily modified. Herein, the design and synthesis of peptide/peptide nucleic acid (PNA) conjugates as well as their functional analyses in lipid complexes are reported. The respective species exhibit a high-affinity recognition in the membrane adjacent water layers prior to assembly of the transmembrane domains. Analytical studies of the novel model system include X-ray scattering and F rster resonance energy transfer assays.
Author: David H. Haas
Publisher:
ISBN:
Category :
Languages : en
Pages : 188
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Author: Paraskevi Gkeka
Publisher:
ISBN:
Category :
Languages : en
Pages : 193
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Book Description
Peptide-membrane interactions play an important role in a number of biological processes, such as antimicrobial defence mechanisms, viral translocation, membrane fusion and functions ofmembrane proteins. In particular, amphipathic [alpha]-helical peptides comprise a large family of membrane-active peptides that could exhibit a broad range of biological activities. A membrane, interacting with an amphipathic [alpha]-helical peptide, may experience a number of possible structural transitions, including stretching, reorganization of lipid molecules, formation of defects, transient and stable pores, formation of vesicles, endo- and pinocytosis and other phenomena. Naturally, theoretical and experimental studies of these interactions have been an intense on-going area of research. However, complete understanding of the relationship between the structure of the peptide and themechanismof interaction it induces, as well asmolecular details of this process, still remain elusive. Lack of this knowledge is a key challenge in our efforts to elucidate some of the biological functions of membrane active peptides or to design peptides with tailored functionalities that can be exploited in drug delivery or antimicrobial strategies. In principle,molecular dynamics is a powerful research tool to study peptide-membrane interactions, which can provide a detailed description of these processes on molecular level. However, a model operating on the appropriate time and length scale is imperative in this description. In this study, we adopt a coarse-grained approach where the accessible simulation time and length scales reach microseconds and tens of nanometers, respectively. Thus, the two key objectives of this study are to validate the applicability of the adopted coarse-grained approach to the study of peptide-membrane interactions and to provide a systematic description of these interactions as a function of peptide structure and surface chemistry. We applied the adopted strategy to a range of peptide systems, whose behaviour has been well established in either experiments or detailed atomistic simulations and outlined the scope and applicability of the coarse-grained model. We generated some useful insights on the relationship between the structure of the peptides and themechanism of peptide-membrane interactions. Particularly interesting results have been obtained for LS3, a membrane spanning peptide, with a propensity to self-assembly into ion-conducting channels. Firstly, we captured, for the first time, the complete process of self-assembly of LS3 into a hexameric ion-conducting channel and explored its properties. The channel has structure of a barrel-stave pore with peptides aligned along the lipid tails. However, we discovered that a shorter version of the peptide leads to a more disordered, less stable structure often classified as a toroidal pore. This link between two types of pores has been established for the first time and opens interesting opportunities in tuning peptide structures for a particular pore-inducing mechanism. We also established that different classes of peptides can be uniquely characterized by the distinct energy profile as they cross the membrane. Finally, we extended this investigation to the internalization mechanisms of more complex entities such as peptide complexes and nanoparticles. Coarse-grained steered molecular dynamics simulations of these model systems are performed and some preliminary results are presented in this thesis. To summarize, in this thesis, we demonstrate that coarse-grained models can be successfully used to underpin peptide interaction and self-assembly processes in the presence of membranes in their full complexity. We believe that these simulations can be used to guide the design of peptides with tailored functionalities for applications such as drug delivery vectors and antimicrobial systems. This study also suggests that coarse-grained simulations can be used as an efficient way to generate initial configurations for more detailed atomistic simulations. These multiscale simulation ideas will be a natural future extension of this work.
Author: Ettore Benedetti
Publisher:
ISBN:
Category :
Languages : en
Pages : 58
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Book Description
Author: Kathryn Blakey Dupont
Publisher:
ISBN:
Category :
Languages : en
Pages : 158
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Book Description
Author: Ora Schueler-Furman
Publisher: Humana
ISBN: 9781493967964
Category : Science
Languages : en
Pages : 0
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Book Description
This volume covers an array of techniques available for studying peptide-protein docking and design. The book is divided into four sections: peptide binding site prediction; peptide-protein docking; prediction and design of peptide binding specificity; and the design of inhibitory peptides. The chapters in Modeling Peptide-Protein Interactions: Methods and Protocols cover topics such as the usage of ACCLUSTER and PeptiMap for peptide binding site prediction; AnchorDock and ATTRACT for blind, flexible docking of peptides to proteins; flexible peptide docking using HADDOCK and FlexPepDock; identifying loop-mediated protein-protein interactions using LoopFinder; and protein-peptide interaction design using PinaColada. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary details for successful application of the different approaches and step-by-step, readily reproducible protocols, as well as tips on troubleshooting and avoiding known pitfalls. Cutting-edge and thorough, Modeling Peptide-Protein Interactions: Methods and Protocols provides a diverse and unified overview of this rapidly advancing field of major interest and applicability.
