Computational Pharmaceutics: Application of Molecular Modelling in Drug Delivery

  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. INDICE: Chapter 1. Introduction of computational pharmaceuticsDefang OuyangChapter 2. Crystal energy landscapes for aiding crystal form selectionSarah PriceChapter 3. Solubilization of poor–soluble drugs in cyclodextron formulationDefang OuyangChapter 4. Molecular Modeling for Polymeric and Micellar Drug DeliverySharon M. LoverdeChapter 5. Solid dispersion – a pragmatic method to improve the bioavailability of poorly soluble drugsDefang OuyangChapter 6. Computer simulations of lipid membranes and liposomes for drug deliveryBecky NotmanChapter 7. Molecular modeling for protein aggregation and formulationJim WarwickerChapter 8. Computational simulation of drug delivery by nano–materials at molecular levelYouyong LiChapter 9. Molecular and analytical modeling of nanodiamond for drug delivery applicationsAmanda BarnardChapter 10. Molecular modeling of LDH drug delivery systemsVinuthaa MurthyChapter 11. Molecular dynamics simulation as a tool to study the efficacy of PEGylationAlex BunkerChapter 12. Synchrotron Radiation Micro Computed Tomography: a new approach for quantitative 3D structural architecture of drug delivery systemsJiwen ZhangChapter 13. Pharmacokinetic modelling and simulation in drug deliveryRajIndex

• ISBN: 978-1-118-57399-0
• Editorial: Wiley–Blackwell
• Encuadernacion: Cartoné
• Páginas: 340
• Fecha Publicación: 17/07/2015
• Nº Volúmenes: 1
• Idioma: Inglés