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QSAR and Drug Design

New Developments and Applications

Takuo Fujita (Herausgeber)

Buch | Hardcover
508 Seiten
1995
Elsevier Science Ltd (Verlag)
978-0-444-88615-6 (ISBN)
159,85 inkl. MwSt
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Based on topics presented at the Annual Japanese (Quantitative) Structure-Activity Relationship Symposium and the Biennial China-Japan Drug Design and Development conference, this volume covers many procedures and subdisciplines in the SAR area.
Based on topics presented at the Annual Japanese (Quantitative) Structure-Activity Relationship Symposium and the Biennial China-Japan Drug Design and Development conference, the topics in this volume cover almost every procedure and subdiscipline in the SAR discipline. They are categorized in three sections. Section one includes topics illustrating newer methodologies relating to ligand-receptor, molecular graphics and receptor modelling as well as the three-dimensional (Q)SAR examples with the active analogue approach and the comparative molecular field analysis. In section 2 the hydrophobicity parameters, log P (1-octano/water) for compound series of medicinal-chemical interest are analyzed physico-organic chemically. Section 3 contains the examples based on the traditional Hansch QSAR approach. A variety of methodologies and procedures are presented in this single volume, along with their methodological philosophies.

Part 1 Three-dimensional structure-based drug design, molecular modelling and three-dimensional QSAR: rational approaches to computer drug design based on drug-receptor interactions, A. Itai et al; drug design based on receptor modelling using a system "BIOCES(E)", K. Akahane and H. Umeyama; mechanisms of the selective inhibition of thrombin, factor Xa, plasmin and trypsin, T. Masuzaki et al; three-dimensional structure-activity relationships and receptor mapping of quinolone antibacterials, H. Koga and M. Ohta; classical and three-dimensional quantitative structure-activity analyses of steroid hormones - structure-receptor binding patterns of anti-hormonal drug candidates, M. Yamakawa et al. Part 2 Quantitative structure-parameter analyses and database-oriented and newer statistical (Q)SAR procedures and drug design: analysis and prediction of 1-octano/water partition coefficients of substituted diazines with substituent and structural parameters, C. Yamagami et al; hydrophobicities of Di-to pentapeptides having unionizable side chains and correlation with substituent and structural parameters, M. Akamatsu and T. Fujita; analysis of amino acid sequence-function relationships in proteins, T. Nishioka and J. Oda; background and features of EMIL, a system for database-aided bioanalogous structural transformation of bioactive compounds, T. Fujita et al; fuzzy adaptive least squares and its use in quantitative structure-activity relationships, I. Moriguchi and S. Hirono. Part 3 Traditional QSAR and drug design: structure-activity relationships in medicinal chemistry - development of drug candidates from lead compounds, Z.R. Guo; chemical modification and structure-activity relationship studies of piperine and its analogs - an example of drug development from folk medicine, R.-I. Li and S.-Y. Wang; structural requirements of leukotriene antagonists, H. Terada et al; quantitative structure-activity relationships of a new class of Ca2+-antagonistic and alpha-blocking phenoxyalkylamine derivatives, K. Mitani; applications of quantitative structure-activity relationships to drug design of piperazine derivatives, H. Ohtaka; quantitative structure-activity studies of neurotoxic acrylamide analogs, K. Hashimoto et al.

Reihe/Serie Pharmacochemistry Library ; v.23
Zusatzinfo index
Verlagsort Oxford
Sprache englisch
Themenwelt Studium 2. Studienabschnitt (Klinik) Pharmakologie / Toxikologie
ISBN-10 0-444-88615-X / 044488615X
ISBN-13 978-0-444-88615-6 / 9780444886156
Zustand Neuware
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