Qsar and Drug Design: New Developments and Applications

✍ Scribed by Toshio Fujita (Eds.)

Publisher: Elsevier Science Pub Co
Year: 1995
Tongue: English
Leaves: 483
Series: Pharmacochemistry Library 23
Category: Library

No coin nor oath required. For personal study only.

✦ Synopsis

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

✦ Table of Contents

Content:
Preface
Pages IX-X
Toshio Fujita

List of contributors
Page XI

Rational approaches to computer drug design based on drug-receptor interactions Original Research Article
Pages 3-48
Akiko Itai, Nobuo Tomioka, Yuichi Kato

Drug design based on receptor modeling using a system вЂњBIOCES [E]вЂќ Original Research Article
Pages 49-81
Kenji Akahane, Hideaki Umeyama

Mechanisms of the selective inhibition of thrombin, factor xa, plasmin and trypsin Original Research Article
Pages 83-95
Takao Matsuzaki, Hideaki Umeyama, Ryoji Kikumoto

Three-dimensional structure-activity relationships and receptor mapping of quinolone antibacterials Original Research Article
Pages 97-124
Hiroshi Koga, Masateru Ohta

Classical and three-dimensional quantitative structure-activity analyses of steroid hormones: Structure-receptor binding patterns of anti-hormonal drug candidates Original Research Article
Pages 125-150
Masumi Yamakawa, Kiyoshi Ezumi, Ken'ichi Takeda, Tetsuro Suzuki, Isao Horibe, Goro Kato, Toshio Fujita

Analysis and prediction of 1-octanol/water partition coefficients of substituted diazines with substituent and structural parameters Original Research Article
Pages 153-183
Chisako Yamagami, Narao Takao, Toshio Fujita

Hydrophobicities of di-to pentapeptides having unionizable side chains and correlation with substituent and structural parameters Original Research Article
Pages 185-214
Miki Akamatsu, Toshio Fujita

Analysis of amino acid sequence-function relationships in proteins Original Research Article
Pages 215-233
Takaaki Nishioka, Jun'ichi Oda

Background and features of emil, a system for database-aided bioanalogous structural transformation of bioactive compounds Original Research Article
Pages 235-273
Toshio Fujita, Michihiro Adachi, Miki Akamatsu, Masaaki Asao, Harukazu Fukami, Yoshihisa Inoue, Isao Iwataki, Masaru Kido, Hiroshi Koga, Takamitsu Kobayashi, Izumi Kumita, Kenji Makino, Kengo Oda, Akio Ogino, Masateru Ohta, Fumio Sakamoto, Tetsuo Sekiya, Ryo Shimizu, Chiyozo Takayama, Yukio Tada, et al.

Fuzzy adaptive least squares and its use in quantitative structure-activity relationships Original Research Article
Pages 275-296
Ikuo Moriguchi, Shuichi Hirono

Structure-activity relationships in medicinal chemistry: Development of drug candidates from lead compounds Original Research Article
Pages 299-320
Zongru Guo

Chemical modification and structure-activity relationship studies of piperine and its analogs: an example of drug development from folk medicine Original Research Article
Pages 321-339
Ren-Li Li, Shu-Yu Wang

Structural requirements of leukotriene antagonists Original Research Article
Pages 341-367
Hiroshi Terada, Satoru Goto, Hitoshi Hori, Zenei Taira

Quantitative structure-activity relationships of a new class of Ca-antagonistic and О±-blocking phenoxyalkylamine derivatives Original Research Article
Pages 369-412
Kazuya Mitani

Applications of quantitative structure-activity relationships to drug design of piperazine derivatives Original Research Article
Pages 413-450
Hiroshi Ohtaka

Quantitative structure-activity studies of neurotoxic acrylamide analogs Original Research Article
Pages 451-480
Kazuo Hashimoto, Hideji Tanii, Akihisa Harada, Toshio Fujita

Subject index
Pages 481-493

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