Probing Lipid Membrane Interactions with Drug Molecules and Cationic Proteins Using Combined Experimental and Computational Analysis

Probing Lipid Membrane Interactions with Drug Molecules and Cationic Proteins Using Combined Experimental and Computational Analysis PDF Author: Lorena Alvarez
Publisher:
ISBN:
Category : Bilayer lipid membranes
Languages : en
Pages : 0

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Book Description
The lipid bilayer's integrity is essential for cell function as it acts as the primary barrier against external molecules like drugs and peptides, which can alter the bilayer's physical properties. This dissertation investigates how amphetamine (AMPH) and methamphetamine (METH), and the charged HIV1-TAT peptide impact the stability of lipid bilayers, using a home-built lipid bilayer apparatus that enables real-time monitoring through electrical and fluorescence measurements. Our findings indicate that AMPH and METH increase the lipid bilayer's ion permeability, with METH having a greater destabilizing effect. High concentrations of these stimulants, akin to levels in blood plasma of individuals with stimulant-related brain injuries, lead to pore formation in the bilayer. The extent of destabilization correlated with the drug concentration. We also studied the translocation dynamics of the charged HIV1-TAT peptide across the lipid bilayer. The analysis of current fluctuations showed that successful translocation of the TAT peptide is concentration-dependent, highlighting the significance of charge in inducing membrane deformation or pore formation. Additionally, molecular dynamic simulations were used to explore AMPH interactions with the lipid bilayer in greater detail. The results revealed AMPH's preferred orientation during interaction and its hydrophobic nature, as evidenced by the larger energy barrier encountered in the hydrophilic head group regions of the lipid bilayer. To complement these findings, we utilized surface-enhanced Raman spectroscopy (SERS) to estimate the concentrations of AMPH within lipid bilayers. The data showed a positive correlation between characteristic peak heights and AMPH concentrations. Moreover, whole-cell patch clamp measurements on neuronal cells were employed to examine AMPH's effects in a more intricate lipid environment. This research contributes to the understanding of how stimulants and charged peptides interact with lipid bilayers, which is vital for insights into their biological impacts and in developing therapeutic interventions.

Handbook of Lipid Membranes

Handbook of Lipid Membranes PDF Author: Cyrus R. Safinya
Publisher: CRC Press
ISBN: 1466555734
Category : Medical
Languages : en
Pages : 371

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Book Description
This handbook provides a unique overview of lipid membrane fundamentals and applications. The fascinating world of lipids that harbor and govern so many biological functionalities are discussed within the context of membrane structures, interactions, and shape evolution. Beyond the fundamentals in lipid science, this handbook focuses on how scientists are building bioinspired biomimetic systems for applications in medicine, cosmetics, and nanotechnology. Key Features: Includes experimental and theoretical overviews on the role of lipids, with or without associated biomolecules, as structural components imparting distinct membrane shapes and intermembrane interactions Covers the mechanisms of lipid-membrane curvature, by peptide and protein binding, and the roles of signalling lipids and the cytoskeleton in plasma membrane shape evolution Covers advanced X-ray and force measurement techniques Discusses applications in biomedicine, cosmetics, and nanotechnology, including lipid vectors in nucleic acid, drug delivery in dermal applications, and lipid-based sensors and artificial biointerfaces Covers artificial membranes from block copolymers, synthetic copolypeptides, and recombinant proteins Includes an exciting section that explores the role of lipids in the origin of life in hydrothermal conditions This book is a highly informative companion for professionals in biophysics, biochemistry, physical chemistry, and material and pharmaceutical sciences and bioengineering.

Peptide-Lipid Interactions

Peptide-Lipid Interactions PDF Author: Sidney A. Simon
Publisher: Academic Press
ISBN: 0080925855
Category : Science
Languages : en
Pages : 606

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Book Description
This volume contains a comprehensive overview of peptide-lipid interactions by leading researchers. The first part covers theoretical concepts, experimental considerations, and thermodynamics. The second part presents new results obtained through site-directed EPR, electron microscopy, NMR, isothermal calorimetry, and fluorescence quenching. The final part covers problems of biological interest, including signal transduction, membrane transport, fusion, and adhesion. Key Features * world-renowned experts * state-of-the-art experimental methods * monolayers, bilayers, biological membranes * theoretical aspects and computer simulations * rafts * synaptic transmission * membrane fusion * signal transduction

Progress in Protein-lipid Interactions

Progress in Protein-lipid Interactions PDF Author: A. Watts
Publisher: Elsevier Science & Technology
ISBN:
Category : Lipids
Languages : en
Pages : 316

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Book Description


Free Energy Calculations

Free Energy Calculations PDF Author: Christophe Chipot
Publisher: Springer Science & Business Media
ISBN: 3540384472
Category : Language Arts & Disciplines
Languages : en
Pages : 528

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Book Description
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.

Computational Pharmaceutics

Computational Pharmaceutics PDF Author: Defang Ouyang
Publisher: John Wiley & Sons
ISBN: 1118573994
Category : Science
Languages : en
Pages : 350

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Book Description
Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.

Membrane Protein Crystallization

Membrane Protein Crystallization PDF Author:
Publisher: Academic Press
ISBN: 0080961592
Category : Science
Languages : en
Pages : 334

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Book Description
This volume of Current Topics in Membranes focuses on Membrane Protein Crystallization, beginning with a review of past successes and general trends, then further discussing challenges of mebranes protein crystallization, cell free production of membrane proteins and novel lipids for membrane protein crystallization. This publication also includes tools to enchance membrane protein crystallization, technique advancements, and crystallization strategies used for photosystem I and its complexes, establishing Membrane Protein Crystallization as a needed, practical reference for researchers.

Electron Paramagnetic Resonance: Volume 27

Electron Paramagnetic Resonance: Volume 27 PDF Author: Bela E. Bode
Publisher: Royal Society of Chemistry
ISBN: 183916171X
Category : Science
Languages : en
Pages : 277

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Book Description
Electron paramagnetic resonance (EPR) applications remain highly significant in modern analytical science and this volume compiles critical coverage of developments in the recent literature. The topics covered in this volume describe contrasting types of EPR application, including rapid scan EPR, using the EPR toolkit to investigate the structural dynamics of membrane proteins and pulse dipolar EPR spectroscopy for investigating biomolecular binding events. An additional chapter reviewing the PARACAT collaboration from the EU has also been included. Providing a snapshot of the area by a handpicked group of researchers at the cutting-edge of the field, this book is a useful addition to any library supporting this research.

Biomembranes

Biomembranes PDF Author: Robert B. Gennis
Publisher: Springer Science & Business Media
ISBN: 1475720653
Category : Science
Languages : en
Pages : 549

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Book Description
New textbooks at all levels of chemistry appear with great regularity. Some fields like basic biochemistry, organic reaction mechanisms, and chemical thermody namics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up-to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research which is advancing the field. It is not often easy to persuade such individuals to set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive introductions to their fields. These should serve the needs of one semester or one quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses.

Biocidal Polymers

Biocidal Polymers PDF Author: Narendra Pal Singh Chauhan
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110638630
Category : Science
Languages : en
Pages : 458

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Book Description
Biocidal polymers are designed to inhibit or kill microorganisms such as bacteria, fungi and protozoans. This book summarizes recent findings in the synthesis, modification and characterization of various antimicrobial polymers ranging from plastics and elastomers to biomimetic and biodegradable polymers. Modifications with different antimicrobial agents as well as antimicrobial testing methods are described in a comprehensive manner.