QSAR and Drug Design: New Developments and Applications

SECTION I: Three-Dimensional Structure-Based Drug Design, Molecular Modelling and Three-Dimensional QSAR. 1. Rational Approaches to computer Drug Design Based on Drug-Receptor Interactions (A. Itai, N. Tomioka and Y. Kato). 2. Drug Design Based on Receptor Modeling Using a System "BIOCES(E)"(K. Akahane and H. Umeyama). 3. Mechanisms of the Selective Inhibition of Thrombin, Factor Xa, Plasmin and Trypsin (T. Masuzaki, H. Umeyama and R. Kikumoto). 4. Three-Dimensional Structure-Activity Relationships and Receptor Mapping of Quinolone Antibacterials (H. Koga and M. Ohta). 5. Classical and Three-Dimensional Quantitative Structure-Activity Analyses of Steroid Hormones: Structure-Receptor Binding Patterns of Anti-hormonal Drug Candidates (M. Yamakawa, K. Ezumi, K. Takeda, T. Suzuki, I. Horibe, G. Kato and T. Fujita). SECTION II: Quantitative Structure-Parameter Analyses and Database-Oriented and Newer Statistical (Q)SAR Procedures and Drug Design. 6. Analysis and Prediction of 1-Octanol/Water Partition Coefficients of Substituted Diazines with Substituent and Structural Parameters (C. Yamagami, N. Takao and T. Fujita). 7. Hydrophobicities of Di-to Pentapeptides Having Unionizable Side Chains and Correlation with Substituent and Structural Parameters (M. Akamatsu and T. Fujita). 8. Analysis of Amino Acid Sequence-Function Relationships in Proteins (T. Nishioka and J. Oda). 9. Background and Features of EMIL, A System for Database-Aided Bioanalogous Structural Transformation of Bioactive Compounds (T. Fujita, M. Adachi, M. Akamatsu, M. Asao, H. Fukami, Y. Inoue, I. Iwataki, M. Kido, H. Koga, T. Kobayashi, I. Kumita, K. Makino, K. Oda, A. Ogino, M. Ohta, F. Sakamoto, T. Sekiya, R. Shimizu, C. Takayama, Y. Tada, I. Ueda, Y. Umeda, M. Yamakawa, Y. Yamaura, H. Yoshioka, M. Yoshida, M. Yoshimoto and K. Wakabayashi. 10. Fuzzy Adaptive Least Squares and its Use in Quantitative Structure-Activity Relationships (I. Moriguchi and S. Hirono). SECTION III: Traditional QSAR and Drug Design. 11. Structure-Activity Relationships in Medicinal Chemistry: Development of Drug Candidates from LeadCompounds (Z.r. Guo). 12. 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, S. Goto, H. Hori and Z. Taira). 14. Quantitative Structure-Activity Relationshps of a New Class of Ca²⁺–Antagonistic and &agr; –Blocking Phenoxyalkylamine Derivatives (K. Mitani). 15. Applications of Quantitative Structure-Activity Relationships to Drug Design of Piperazine Derivatives (H. Ohtaka). 16. Quantitative Structure-Activity Studies of Neurotoxic Acrylamide Analogs (K. Hashimoto, H. Tanii, A. Harada and T. Fujita). Subject Index.