比较分子场分析法,CoMFA
CoMFA比较分子力场分析法
1.Progress on CoMFA Research;比较分子力场分析法(CoMFA)的研究新进展
2.Using comparative molecular field analysis(CoMFA)and comparative molecular similarity indices analysis(CoM- SIA),three dimensional structure-activity relationship(3D-QSAR)has been studied on a series of novel tetralin antifungal com- pounds.采用比较分子力场分析法(CoMFA)和比较分子相似性指数分析法(CoMSIA),系统研究了49个新型四氢萘类化合物抗真菌活性的三维定量构效关系。
3.Using comparative molecular field analysis (CoMFA) and comparative molecular similarity in-dices analysis (CoMSIA), three dimensional structure-activity relationship (3D-QSAR) has been studied on a series of novel triazole antifungal compounds.采用比较分子力场分析法(CoMFA)和比较分子相似性指数分析法(CoMSIA),系统研究了40个新型三唑类化合物抗真菌活性的三维定量构效关系。
3)CoMFA比较分子力场分析方法
1.Methods A 3D-QSAR model of thirty-four SSRIs was established by the comparative molecular field analysis(CoMFA).方法通过确定34个茚胺类化合物分子的药效构象,与模板分子进行分子叠加,利用比较分子力场分析方法(CoMFA),建立了一个选择性SSRIs的三维定量构效模型。
2.METHODS To quantitively disclose the relationship between structure and actitivety of a series of selective serotonin reuptake inhibitors(SSRIs) for 3-Phenyl -1-indan-amines,and build a three dimensional Quantitative structure activity relationship(3D-QSAR) model for the design of novel potent drugs by the comparative molecular field analysis(CoMFA).方法:通过比较分子力场分析方法(CoMFA),建立有较高的预测能力的苯茚胺类似物抗抑郁活性的三维定量构效模型,研究其结构与活性间的关系,指导设计并优化合成出新的化合物,然后用小鼠悬尾实验进行初步的抗抑郁药理活性的筛选,得到具有抗抑郁活性的新的苯茚胺类似物。
3.Specifically,CDK2-QSAR(quantitative structure-activity relationship) and CDK4-QSSR(quantitative structure-selectivity relationship) CoMFA(comparative molecular field analysis) studies were carried out on indolocarbazole derivatives as CDK inhibitors.针对吲哚咔唑类CDK抑制剂,我们采用比较分子力场分析方法(CoMFA)建立了CDK2-QSAR(quantitative structure-activity relationship)和CDK4-QSSR(quantitative structure-selectivity relationship)模型。
4)CoMFA (comparative molecular field analysis)比较分子立场分析法(CoMFA)
5)CoMFA比较分子场分析
1.The three dimensional structure activity relationship(3D QSAR)of the 21 octopamine insecticides and the pharmocophore were determinated using comparative molecular field analysis(CoMFA) method.用比较分子场分析方法 (CoMFA)研究了 2 1种真蛸胺类杀虫剂的三维定量构效关系 ,确定了药效团模型 ,得到了具有较好预测能力的CoMFA模型。
2.Using comparative molecular field analysis (CoMFA), a 3D QSAR model of ACE inhibitors was established.用比较分子场分析法 (ComparativeMolecularFieldAnalysis,CoMFA)建立了含磷类ACE抑制剂的 3D QSAR模型。
6)Comparative molecular field analysis比较分子场分析
1.Quantitative structure activity relationship of the inhibitors of acetylcholinesterase by comparative molecular field analysis.;乙酰胆碱酯酶抑制剂定量构效关系的比较分子场分析
2.Methods Based on heteroaryldihydropyrimidines(HAPs) which was discovered as highly potent non-nucleosidic inhibitors of HBV replication in vitro and in vivo,the novel dihydropyridine analogs were designed by comparative molecular field analysis methods.方法以芳杂环取代的二氢嘧啶类化合物为模板,通过比较分子场分析,设计全新的二氢吡啶类化合物。
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容量分析法(见化学分析法)容量分析法(见化学分析法) 容t分析法见化学分析法