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中文摘要：
新农药创制研究是一项十分复杂的系统工程，农药的分子设计是其最核心的技术，而农药活性小分子与作用靶酶之间的选择性相互作用研究是获得高活性先导结构的关键。本项目将从若干重要农药靶酶与农药小分子探针的相互作用研究、突变靶酶与农药探针分子的相互作用研究、基于密度泛函理论理解授体（农药探针分子、农药活性分子）-受体（靶酶、突变靶酶）相互作用的农药分子设计、合成及构效关系研究等三个紧密相关、相辅相成的方面开展研究，深入探讨农药活性小分子与靶标间的相互作用规律，希望发展建立基于密度泛函理论理解授─受体相互作用的新农药分子设计策略，力争获得3~5类新型农药先导结构，为建立具有自身特色的生物合理设计新农药创新平台奠定良好的理论基础，促进我国新农药创制基础研究的进一步发展，从而提高我国新农药创制研究的国际学术地位，为我国现代农业的可持续协调发展服务。
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期刊论文
Synthesis and Crystal Structure of N-[4-(4-Methyl-phenylsulfamoyl)-phenyl]-4- methyl-1,2,3-thiadiazo
Design and synthesis of novel anthranilic diamides containing 5,7-dimethyl[1,2,4]triazolo[1,5- a]pyr
Binding Model Construction of Antifungal 2-Aryl-4- Chromanones Using CoMFA, CoMSIA and QSAR Analyses
2-hydroxy-2 '-oxo-1,2,3,3a, 8,8a,1 ',2 ',3 ',4 '-decahydrospiro[cyclopenta[a] indene-3,1 '-naphthale
Synthesis, Fungicidal and Insecticidal Activities of β-Methoxyacrylate-Containing N-Acetyl Pyrazolin
Synthesis, Antifungal Activity and CoMFA Analysis of Novel 1,2,4-Triazolo[1,5-a]Pyrimidine Derivativ
Discovery of A New Insecticide Lead by Optimizing A Target-Diverse Scaffold: Tetrazolinone Derivativ
Construction of a Combinatorial Library of 2-(4-Oxo-4H-1-Benzopyran-3-yl)-4-Thiazolidinones By Micro
Microwave-Assisted, One-Pot Syntheses and Fungicidal Activity of Polyfluorinated 2-BenzylthioBenzoth
Syntheses and Crystal Structures of (S)-Methyl 2-(4-R- phenylsulfonamido)-3-(1H-indol-3-yl)propanoat
Synthesis, Bioactivity and SAR study of N'-(5-substituted- 1,3,4-thiadiazol-2-yl)- N-cyclopropylform
Interactions of Aryloxyphenoxypropionic Acids with Sensitive and Resistant Acetyl-Coenzyme A Carboxy
Enzymatic synthesis of cyclohexyl-α and β-D-glucosides catalyzed by α- and β-glucosidase in a biphas
Synthesis, bioactivity, theoretical and molecular docking study of 1-cyano-N-substituted-cyclopropan
Design and syntheses of novel phthalazin-1(2H)-one derivatives as acetohydroxyacid synthase inhibito
The first example of regioselective Biginelli-like reaction based on 3-alkylthio-5-amino-1,2,4-triaz
Insecticidal Lead Identification by Screening Benzopyrano[3, 4-c]Pyrazol-3-one Library Constructed F
Syntheses and Biological Activities of EthylN-Hydroxy-N-( substituted) phenyloxamates as KARI Inhibi
Synthesis of novel 2-phenylsulfonylhydrazono-3-(2’,3’,4’,6’-tetra-O-acetyl-b-D- glucopyranosyl)thiaz
A new convenient way to synthesize 1,3,4-thiadiazol-2-yl urea derivatives under microwave irradiatio
Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid
Resolution of N-(2-ethyl-6-methylphenyl)alanine via free and immobilized lipase from Pseudomonas cep
Study on structure-activity relationship of mutation-dependent herbicide resistance acetohydroxyacid
An Efficient Intramolecular Stetter Reaction in Room Temperature Ionic Liquids Promoted By Microwave
A Selective Transformation of Flavanones to 3-Bromoflavones and Flavones Under Microwave Irradiation
Synthesis and Crystal Structure of a Sodium Monosulfuron-ester(Ⅳ-[2-(4-Methy1)pyrimidiny1]-2-carbome
Synthesis of Novel 1-Arylsulfonyl-4-(1'-N-2',3',4',6'-tetra-O-acetyl-13-D- glucopyranosy1) thio－ sem
Development of an Improved Liquid Phase Microextraction Technique and Its Application in the Analysi
Preparation and Characterization of Inclusion Complex of Iprodione and β-Cyclodextrin to Improve Fun
Synthesis, Structure and Biological Activities of Some Novel N-(4,6-Disubstituted- pyrimidin-2-yl)-N
Resolution of N-(2-ethyl-6-methylphenyl) alanine via cross-linked aggregates of Pseudomonas sp. Lipa
Development of a general quantum-chemical descriptor for steric effects: Density functional theory b
Enhancement of enantioselectivity in lipase-catalyzed resolution of N-(2-ethyl-6-methylphenyl)alanin
3-(Dimethoxythiophosphorylamido)-2-(20,30,40-tri-O-acetyl-b-D-xylopyranos-10-ylimino)-1,3-thiazolidi
Microwave and Ultrasound Irradiation-Assisted Synthesis of Novel Disaccharide-Derived Arylsulfonyl T
Synthesis and spectroscopic characterization of binaphthol aminosugars for stimulation of DNA strand
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