COMFA相关论文
利用距离比较法(DISCOtech),构建家蝇GABAA受体萜类抑制剂药效团模型.以家蝇GABAA受体萜类抑制剂药效团模型为基础建立了提问结构,......
Forty-two compounds(series 8,9 and 10)incorporated with diacylated piperazine have been synthesized and evaluated as nov......
3D-QSAR Study on 2,3-Dihydroimidazo [4,5] pyridin-2-one Derivatives with a Meta Substitution Pattern
V600EBRAF have been identified as new promising targets for the design of novel anticancer agents.It is reported that th......
Non-purine derivatives have been shown to be promising novel drug candidates as xanthine oxidase inhibitors.Based on thr......
2D-and 3D-QSAR studies on a novel series of ethynyl-3-quinolinecarbonitriles acting as Src inhibitor
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IE-PP30:Pharmacophore screening with piperdinecarboxamides derivatives using GALAHAD study and CoMFA
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A Combined Approach of Docking and 3D QSAR Study of Podophyllotoxin Derivatives Against Brontispa Lo
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Embryonic ectoderm development(EED)has become a novel target for cancer treatment.In this study,a series of EED inhibito......
In this study, Co MFA, Co MSIA and HQSAR techniques were used to study the important characteristic activities of thieno......
Design, syntheses and biological activity of novel ALS inhibitors (Ⅸ)——CoMFA of sulfonylureas and tr
Quantitative structure-activity relationships for herbicidal activity against rape of sulfonylurea and triazolopyrimidin......
目的建立CRTH2拮抗剂的3D-QSAR模型。方法采用比较力场分析(CoMFA)法和比较分子相似性指数分析(CoMSIA)法对103个炔基苯氧乙酸类CR......
A series of 7-azaindol derivatives were designed based on the homologous 3D model of human acrosin.These compounds were ......
Nine phthalates were calculated at the B3LYP/6-311G** level using DFT method. The corresponding linear relationship equa......
As one of the three viral encoded enzymes of HIV-1 infection, HIV-1 integrase has become an attractive drug target for t......
Quantitative structure-activity relationship of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives w
The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied......
Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against S
Fatty acids and derivatives(FADs)are resources for natural antimicrobials.In order to screen for additional potent antim......
目的研究2-苯氧茚酮类乙酰胆碱酯酶抑制剂的三维定量构效关系。方法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(Co......
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibito
Transthyretin(TTR),a plasma protein with a tetramer structure,could form amyloid fibril associated with several human di......
Experimental and computational correlation and prediction on herbicide resistance for acetohydroxyac
Bispyribac is a widely used herbicide that targets the acetohydroxyacid synthase(AHAS) enzyme.Mutations in AHAS have cau......
QSAR and Pharmacophore Studies of Thiazolidine-4-carboxylic Acid Derivatives as Novel Influenza Neur
In order to understand the chemical-biological interactions governing their activities toward neuraminidase (NA), QSAR m......
B-Raf has been identified as promising targets for novel anticancer agents. To further explore the interactions between ......
With the increase of herbicide-resistant weeds, novel, more selective and even more potent herbicides to control weeds a......
磺酰脲类除草剂是一类高选择性、广谱、低毒的化合物,在世界范围内得到了广泛的应用。本文采用拓扑物比较分子力场分析(Topomer-Co......
Three-dimensional(3D) quantitative structure-activity relationship(QSAR) studies of 44 curcumin-related compounds have b......
作为参与调控细胞生理功能的关键因子的c-JunN-末端激酶,与多种人类疾病的发生发展密切相关。本文运用低能构象搜索及分子对接方法......
3D-QSAR Study on Diindolylmethane and Its Analogues with Comparative Molecular Field Analysis (CoMFA
Comparative molecular field analysis (CoMFA), a three dimensional quantitative structure-activity relationship (3D-QSAR)......
In this paper Comparative Molecular Field Analysis (CoMFA) method was applied to study the three-dimensional quantitativ......
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The quantum chemical parameters and the topological indices have been calculated for the prediction of the toxicity of a......
利用比较分子场分析 (CoMFA)对 1 6个嘧啶硫苯甲酸类化合物进行了三维定量构效关系研究 ,得到了具有较强预测能力的QSAR模型。研究......
Our work shows that differdnt compound orientations have different results in Comparative Molecular Field Analysis(CoMFA......
A molecular electronegativity distance vector based on 13 atomic types (MEDV-13) is used to describe the structures of 6......
目的建立3-羧基香豆素类乳酸转运抑制剂三维定量构效关系(3D-QSAR)模型。方法采用分子力场分析法(CoMFA)和比较分子相似性指数分析......
本文通过比较场分析法(comparative molecular field analysis,CoMFA)和比较分子相似性指数分析法(comparative molecular sim......
Integrase has become an attractive target for the design of anti-HIV inhibitor because it plays a quite important role i......
芳构酶（Aromatase,CYP19）,是催化生物体内雄激素向雌激素转化的专一酶,能够被芳构酶抑制剂（Aromatase Inhibitors,AIs）通过阻断芳构化......
Embryonic ectoderm development (EED) has become a novel target for cancer treatment. In this study, a series of EED inhi......
In this study,CoMFA,CoMSIA and HQSAR techniques were used to study the important characteristic activities of thieno[2,3......
采用最小二乘匹配和场匹配两种不同叠合规则,以sp3C+ ,sp3 O0-4 - 和sp3O2 - 3 种不同探针对喜树碱类化合物进行了比较分子力场分......
目的建立比较分子力场分析法(CoMFA)和比较分子相似性指数分析法(CoMSIA)模型,研究茚并异喹啉酮类化合物对前列腺癌细胞DU-145增殖......
Molecular Modeling Studies of Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors
The vascular endothelial growth factor (VEGF) and its receptor tyrosine kinases VEGFR-2 or kinase insertdomain receptor ......
In this paper, CoMFA method was applied to study the 3D QSAR on a series of 3 anilinomethylene 6 alkyl (aryl) 5,6 ......
Three-Dimensional Quantitative Structure-Activity Relationships of flavonoids and estrogen receptors
Flavonoids are endocrine disrupting compounds that occur ubiquitously in foods of plant origin.The Three-Dimensional Qua......
本文将比较分子场分析 (Comparative Molecular Field Analysis)方法 ,即 Co MFA方法用于 α-氧代环十二烷基磺酰胺 QSAR研究 ,建......
用比较分子力场分析 (CoMFA)方法研究了磺酰脲类除草剂结构与活性的三维定量构效关系 ( 3D QSAR) ,并在此基础上对原有分子结构进......
为了能更深入地认识含氟新化合物作为农药的生物活性和其结构间的关系,建立有意义的药物-受体作用模型,寻找同类化合物的药效团,对......
三维定量构效关系(3D-QSAR)是在定量构效分析中引入生物活性分子的三维结构信息。本文论述了三种典型的3D-QSAR方法的基本原理和应......
