著名的理论有机化学家、药物化学家、定量构效关系(QSAR)Hansch方法的创始人、计算机辅助药物分子设计(CADD)的开拓者、美国Pomona College的荣誉教授Corwin Hansch(1918-2011)因肺炎久治不愈于2011年5月8日与世长辞,享年93岁。 Corwin Hansch教授在1964年提出了ρ-σ-π分析方法(即后来称为Hansch方法或Hansch-藤田方法)在世界范围内得到广泛的应用,显示出它在研究化合物的生物活性作用机理和先导化合物的结构优化等方面具有突出的作用。由此为研究药物的构效关系、药物的作用方式、合理地进行药物设计提供了新的途径,同时将药物化学的研究由定性的水平推向定量的水平。为了表彰Hansch教授的贡献,美国化学会于1975年将第一个Smissman-Bristal药物化学奖授予他。由于他发表的论文被广泛引用,Hansch教授于1981年被评为300位被引用最多的科学家之一(从1965-1978年各个科学领域发表的超过一百万篇论文中统计出的结果)。 在20世纪八十年代初Hansch教授将QSAR与X-光结晶学和计算机图形学相结合可以很好地解释QSAR所得的结果并能直观地看到底物与酶相结合的情况。他的这方面工作为后来发展的分子模拟(molecular modeling)打下了基础。为了表彰他这方面的贡献,美国化学会在1985年把第一个大学研究奖授予Hansch教授。 Hansch教授从20世纪七十年代起就收集QSAR数据,建立QSAR数据库直到逝世前从未间断。经将近四十年的努力到2006年QSAR数据库已收集各类化合物的各种生物活性QSAR方程近13000条。在QSAR数据库的基础上可以进行比较定量构效关系(comparative QSAR)的研究,以便对化合物的构效关系和化合物与生物体系间的相互作用能有更深入的了解。他晚年的研究工作多集中于比较定量构效关系。 Hansch教授的成就奠定了计算机辅助药物分子设计的基础,成为药物化学发展中的一个里程碑。化合物以疏水性、电性、立体性的作用力与受体相作用已为药物化学家所接受。他五十多年来孜孜不倦工作的成就,在可预见的将来还将会发挥应有的作用。 (李仁利) Corwin Herman Hansch (October 6, 1918 – May 8, 2011 ) was a Professor of Chemistry at Pomona College in California. He became known as the 'father of computer-assisted molecule design(计算机辅助分子设计之父).' Contents 1 Early life and childhood 2 Education 3 Career 4 Death 5 See also 6 Notes 7 References 8 External links Early life and childhoodHe was born on October 6, 1918 in Kenmare, North Dakota. EducationHe earned a B.S. from the University of Illinois in 1940 and a Ph.D. from New York University in 1944. CareerHansch taught Organic Chemistry for many years at Pomona College, and was known for giving complex lectures without using notes. His course in Physical Bio-Organic Medicinal Chemistry was ground-breaking at an undergraduate level. Hansch may be best known as the father of the concept of quantitative structure-activity relationship (QSAR), the quantitative correlation of the physicochemical properties of molecules with their biological activities. He is also noted for the Hansch equation, which is used in Multivariate Statistics - Multivariate statistics is a set of statistical tools to analyse data (e.g., chemical and biological) matrices using regression and/or pattern recognition techniques. Hansch Analysis - Hansch analysis is the investigation of the quantitative relationship between the biological activity of a series of compounds and their physicochemical substituent or global parameters representing hydrophobic, electronic, steric and other effects using multiple regression correlation methodology. Hansch-Fujita constant - The Hansch-Fujita constant describes the contribution of a substituent to the lipophilicity of a compound. Research Interests: Organic Chemistry; Interaction of organic chemicals with living organisms, Quantitative Structure Activity Relationships (QSAR). Fragment based regression analysis for quantitative structure-activity relationship (Hansch-analysis) DeathHe died of pneumonia on May 8, 2011 in Claremont, California at 92.