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Demonstrating how and why to measure physicochemical and biomimetic properties in early stages of drug discovery for lead optimization, Physicochemical and Biomimetic Properties in Drug Discovery encourages readers to discover relationships between various measurements and develop a sense of interdisciplinary thinking that will add to new research in drug discovery. This practical guide includes detailed descriptions of state-of-the-art chromatographic techniques and uses real-life examples and models to help medicinal chemists and scientists and advanced graduate students apply measurement data for optimal drug discovery.
Separation Methods in Drug Synthesis and Purification
The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains special topics describing target deorphaning in Mycobacterium tuberculosis, therapy treatment of some rare diseases, and developments in the pediatric drug discovery process.
Separation Methods in Drug Synthesis and Purification, Second Edition, Volume Eight, provides an updated on the analytical techniques used in drug synthesis and purification. Unlike other books on either separation science or drug synthesis, this volume combines the two to explain the basic principles and comparisons of each separation technique. New sections to this volume include enantiomer separation using capillary electrophoresis (CE) and capillary electro- chromatography, the computer simulation of chromatographic separation for accelerating method development, the application of chromatography and capillary electrophoresis used as surrogates for biological processes, and new developments in the established techniques of chromatography and preparative methods. - Features descriptions and applications of all separation methods used in the pharmaceutical industry - Written by the leading scientists in their respective fields, providing solutions for a wide range of industrial separation problems encountered within the pharmaceutical industry - Thoroughly updated with brand new separation science techniques and the latest developments in the established techniques of chromatography
Solvent systems are integral to drug development and pharmaceutical technology. This single topic encompasses numerous allied subjects running the gamut from recrystallization solvents to biorelevant media. The goal of this contribution to the AAPS Biotechnology: Pharmaceutical Aspects series is to generate both a practical handbook as well as a reference allowing the reader to make effective decisions concerning the use of solvents and solvent systems. To this end, the monograph was created by inviting recognized experts from a number of fields to author relevant sections. Specifically, 15 chapters have been designed covering the theoretical background of solubility, the effect of ionic equilibria and pH on solubilization, the use of solvents to effect drug substance crystallization and polymorph selection, the use of solvent systems in high throughput screening and early discovery, solvent use in preformulation, the use of solvents in bio-relevant dissolution and permeation experiments, solvents and their use as toxicology vehicles, solubilizing media and excipients in oral and parenteral formulation development, specialized vehicles for protein formulation and solvent systems for topical and pulmonary drug administration. The chapters are organized such that useful decision trees are included together with the scientific underpinning for their application. In addition, trends in the use of solvent systems and a balance of current views make this monograph useful to both the novice and experienced researcher and to scientists at all developmental stages from early discovery to late pharmaceutical operations.
Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to establishing the foundations of the area. Here recent trends in computational modeling of drugs are presented. Other topics present in this part include QSAR in medicinal chemistry, structure-based methods, chemoinformatics and chemometric approaches, and machine learning methods in drug design. The second part focuses on methods and case studies including molecular descriptors, molecular similarity, structure-based based screening, homology modeling in protein structure predictions, molecular docking, stability of drug receptor interactions, deep learning and support vector machine in drug design. The third part of the book is dedicated to special topics, including dedicated chapters on topics ranging from de design of green pharmaceuticals to computational toxicology. The final part is dedicated to present the available tools and databases, including QSAR databases, free tools and databases in ligand and structure-based drug design, and machine learning resources for drug design. The final chapters discuss different web servers used for identification of various drug candidates. - Presents chemometrics, cheminformatics and machine learning methods under a single reference - Showcases the different structure-based, ligand-based and machine learning tools currently used in drug design - Highlights special topics of computational drug design and available tools and databases
Biomimetics, in general terms, aims at understanding biological principles and applying them for the development of man-made tools and technologies. This approach is particularly important for the purposeful design of passive as well as functional biomaterials that mimic physicochemical, mechanical and biological properties of natural materials, making them suitable, for example, for biomedical devices or as scaffolds for tissue regeneration. The book comprehensively covers biomimetic approaches to the development of biomaterials, including: an overview of naturally occurring or nature inspired biomaterials; an in-depth treatment of the surface aspects pivotal for the functionality; synthesis and self-assembly methods to prepare devices to be used in mineralized tissues such as bone and teeth; and preparation of biomaterials for the controlled/ sustained release of bioactive agents. The last part reviews the applications of bioinspired materials and principles of design in regenerative medicine such as in-situ grown bone or cartilage as well as the biomimetic techniques for soft tissue engineering. The comprehensive scope of this book makes it a must-have addition to the bookshelf of everyone in the fields of Materials Science/Engineering, Nanotechnologies / Nanosciences, Medical Sciences, Biochemistry, Polymer Chemistry, and Biomedical Engineering.
This book examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches, statistical modeling and molecular modeling for the development and safe delivery of drugs in humans. The application of concepts of QbD (Quality by Design), DoE (Design of Experiments), artificial intelligence and in silico pharmacokinetic assessment/simulation have been made a lot easier with the help of commercial software and expert systems. This title provides in-depth knowledge of such useful software with illustrations from the latest researches. The book also fills in the gap between pharmaceutics and molecular modeling at micro, meso and maro scale by covering topics such as advancements in computer-aided Drug Design (CADD), drug-polymer interactions in drug delivery systems, molecular modeling of nanoparticles and pharmaceutics/bioinformatics. This book provides abundant applications of computers in formulation designing and characterization are provided as examples, case studies and illustrations. Short reviews of software, databases and expert systems have also been added to culminate the interest of readers for novel applications in formulation development and drug delivery. Computer-aided pharmaceutics and drug delivery is an authoritative reference source for all the latest scholarly update on emerging developments in computed assisted techniques for drug designing and development. The book is ideally designed for pharmacists, medical practitioners, students and researchers.
Progress in Medicinal Chemistry, Volume 61 provides a review of eclectic developments in medicinal chemistry, with each chapter written by an international board of authors. - Provides extended, timely reviews of topics in medicinal chemistry - Contains targets and technologies relevant to the discovery of tomorrow's drugs - Presents analyses of successful drug discovery programs