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"The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as stability of ligand binding. Molecular recognition is thus a central topic in the development of active substances, since stability and specificity determine whether a substance can be used as a drug. Nowadays, computer-aided prediction and intelligent molecular design make a large contribution to the constant search for, e. g., improved enzyme inhibitors, and new concepts such as that of pharmacophores are being developed."

"Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances.Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools."

"Contents :1. Zusammenfassung und Empfehlungen2. AnlaB und Anliegen3. Das Fachgebiet4. Toxikologie in Deutschland5. Toxikologie im Ausland6. DFG-Denkschrift 1975 und ihre Folgen7. Literatur8. Anhang"

"Im zweiten band dieses modular aufgebauten Lehrbuchs wird die exposition und toxische wirkung der wichtigsten toxischen chemikalien abgehandelt. (Nano-) partikuläre stoffe, metalle, anorganische und organische verbindungen werden systematisch betrachtet und in ihren chemischen eigenschaften, expositionen, wirkmechanismen und toxikodynamik beschrieben, ergänzt durch experimentelle daten von mensch und tier. ein besonderes highlight ist das kapitel über chemische kampfstoffe, das in zusammenarbeit mit fachleuten der bundeswehr entstanden ist. "

"Perfekt abgestimmt auf die moderne Ausbildung zum Toxikologen, werden in diesem Lehr- und Prüfungsbuch alle wichtigen Konzepte und wissenschaftlichen Grundlagen der Toxikologie erklärt: von der molekularen Toxikologie bis hin zu Risk Assessment und Epidemiologie. Besonderes Highlight sind mehrere Kapitel zu den aktuellen Hauptarbeitsfeldern der Toxikologie, u.a. die Kontrolle und Bewertung von Belastungen am Arbeitsplatz und in Gebäuden sowie des Gefahrenpotentials von Nahrungs- und Arzneimitteln. Leseempfehlungen und Fragen zur Selbstkontrolle runden dieses Buch ab.Zusammen mit dem zweiten Band ("Toxikologie der Stoffe") ist das gesamt Grundlagenwissen für die Ausbildung zum Fachtoxikologen und für den Masterstudiengang Toxikologie enthalten. Contents:1. Einführung in die Toxikologie /​ Hans-Werner Vohr2. Toxikokinetik /​ Gerd Bode3. Fremdstoffmetabolismus /​ Wim W̃tjen, Ellen Fritsche4. Toxikodynamik /​ Hans-Werner Vohr5. Toxikologie der Organe und Organsysteme /​ Regine Kahl, Gabriele Schmuck, Hans-Werner Vohr6. Gentoxizit̃t und chemische Kanzerogenese /​ Helga Stopper7. Reproduktionstoxizität /​ Ralf Stahlmann, Aniko Horvath8. Epidemiologie und Molekulare Epidemiologie /​ Maria Blettner, Iris Pigeot, Hajo Zeeb9. Dosis und Wirkung, "risk assessment" /​ Gabriele Schmuck10. Exemplarische Testverfahren in der Toxikologie /​ Gabriele Schmuck11. Ökotoxikologie /​ Richard Schmuck12. Biozide und Pflanzenschutzmittel /​ Gabriele Schmuck, Hans-Werner Vohr13. Innenraum /​ Elke Roßamp14. Arbeitsplatz /​ Hermann M Bolt, Klaus Golka15. Lebensmittel /​ Alfonso Lampen16. Arzneimittel /​ Eckhard von Keutz."

"Chlorinated organic compounds are indispensable in industrial production, but they are usually toxic, often carcinogenic and damage genetic material.In the well-structured tables of this book the user can recognize at a glance the toxicological effects of the classes of chlorinated organic compounds most often used in industry. The clear and scientifically based evaluation of the data shows the risk associated with chlorinated organic compounds."

"This reference handbook is the first to provide a comprehensive overview, systematically characterizing all known transporters involved in drug elimination and resistance. Combining recent knowledge on all known classes of drug carriers, from microbes to man, it begins with a look at human and mammalian transporters. This is followed by microbial, fungal and parasitic transporters with special attention given to transport across those physiological barriers relevant for drug uptake, distribution and excretion. As a result, this key resource lays the foundations for understanding and investigating the molecular mechanisms for multidrug resistance in cancer cells, microbial resistance to antibiotics and pharmacokinetics in general."

"Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy. Alternatively, if active ligands are already available, molecular similarity searches can be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to "real" screening that requires cost- and labor-intensive laboratory testing with previously synthesized drug compounds. Unique in its focus on the end user, this is a real "how to" book that does not presuppose prior experience in virtual screening or a background in computational chemistry. It is both a desktop reference and practical guide to virtual screening applications in drug discovery, offering a comprehensive and up-to-date overview. Clearly divided into four major sections, the first provides a detailed description of the methods required for and applied in virtual screening, while the second discusses the most important challenges in order to improve the impact and success of this technique. The third and fourth, practical parts contain practical guidelines and several case studies covering the most important scenarios for new drug discovery, accompanied by general guidelines for the entire workflow of virtual screening studies. Throughout the text, medicinal chemists from academia, as well as from large and small pharmaceutical companies report on their experience and pass on priceless practical advice on how to make best use of these powerful methods."

"Edited by the most prominent person in the field and top researchers at US pharmaceutical companies, this is a unique resource for drug developers and physiologists seeking a molecular-level understanding of ion channel pharmacology. After an introduction to the topic, the authors evaluate the structure and function of ion channels, as well as related drug interaction. A section on assay technologies is followed by a section each on calcium, sodium and potassium channels. Further chapters cover genetic and acquired channelopathies, before the book closes with a look at safety issues in ion channel drug development. "

"Phytochemicals are non-nutritive plant chemicals that protect us and prevent us from diseases. There are thousands of known phytochemicals, e.g. in tomatoes, soy and in fruits. While these are known helpful antioxidants, their potential toxicity is essential for identifying any risks for humans."