Drug design is a complex, challenging and innovative research area. Structure-based molecular design has transformed the drug discovery approach in modern medicine. Traditionally, focus has been placed on computational, structural or synthetic methods only in isolation. This one-of-akind guide integrates all three skill sets for a complete picture of contemporary structure-based design. This practical approach provides the tools to develop a high-affinity ligand with drug-like properties for a given drug target for which a high-resolution structure exists. The authors use numerous examples of recently developed drugs to present "best practice" methods in structurebased drug design with both newcomers and practicing researchers in mind. By way of a carefully balanced mix of theoretical background and case studies from medicinal chemistry applications, readers will quickly and efficiently master the basic skills of successful drug design. This book is aimed at new and active medicinal chemists, biochemists, pharmacologists, natural product chemists and those working in drug discovery in the pharmaceutical industry. It is highly recommended as a desk reference to guide students in medicinal and chemical sciences as well as to aid researchers engaged in drug design today.

Water Extraction of Bioactive Compounds: From Plants to Drug Development draws together the expert knowledge of researchers from around the world to outline the essential knowledge and techniques required to successfully extract bioactive compounds for further study. The book is a practical tool for medicinal chemists, biochemists, pharmaceutical scientists and academics working in the discovery and development of drugs from natural sources. The discovery and extraction of bioactive plant compounds from natural sources is of growing interest to drug developers, adding greater fuel to a simultaneous search for efficient, green technologies to support this. Particularly promising are aqueous based methods, as water is a cheap, safe and abundant solvent. Water Extraction of Bioactive Compounds: From Plants to Drug Development is a detailed guide to the fundamental concepts and considerations needed to successfully undertake such processes, supported by application examples and highlighting the most influential variables. Beginning with an introduction to plants as sources of drugs, the book highlights the need for a move towards both more rational and greener techniques in the field, and presents multiple innovative water-based strategies for the discovery and extraction of bioactive constituents of botanicals. A broad range of available techniques are reviewed, including conventional and pressurized hot water extraction techniques, intensified processes such as microwave-assisted, ultrasound-assisted processes, and enzyme assisted extraction, and processes using combined techniques. Covers the theoretical background and range of techniques available to researchers, helping them to select the most appropriate extraction method for their needs Presents up-to-date and cutting edge applications by international experts Highlights current use and future potential for industrial scale applications Offers a thorough introduction to plants as sources of drugs, highlighting strategies for the discovery of novel bioactive constituents of botanicals