CoMSIA相关论文
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......
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......
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......
Combining docking and comparative molecular similarity indices analysis (COMSIA) to predict estrogen
Estrogen compounds are suspected of disrupting endocrine functions by mimicking natural hormones, and such compounds may......
目的设计、合成高活性的小分子p53-MDM2结合抑制剂,建立具有预测能力的3D-QSAR模型。方法采用分子模拟软件Sybyl,利用比较分子场方......
目的建立具有预测能力的新型二芳基三嗪类抗锥体虫病化合物三维定量构效关系(3D-QSAR)模型。方法通过对具有抗锥体虫活性的二芳基......
3D-QSAR Analysis of a Series of Dihydroquinolizinone Derivatives as a Hepatitis B Virus Expression I
In this study,we explored a three-dimensional quantitative structure-activity relationship (3D-QSAR) model of 63 HBV vir......
本文通过对荣华二采区10...
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对33个喹啉衍生物的雌激素β受体活性进行了分子对接以及比较分子力场分析(CoMFA)和比较分子相似性指数分析(CoMSIA).研究发现对接......
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)对34个顺式新烟碱类衍生物的杀虫活性进行三维定量构效关系(3D......
醛酮还原酶1C3(AKR1C3)作为治疗前列腺癌的新靶点已成为研究热点,3-氨磺酰苯甲酸衍生物对其具有高效的选择性和抑制活性。本文采用......
本文应用3D-QSAQ技术研究了皮革生产中常用酰胺类化合物毒性与结构的关系,并对其毒性进行了预测.选用了12种酰胺类化合物及其......
QSAR and Pharmacophore Studies of Thiazolidine-4-carboxylic Acid Derivatives as Novel Influenza Neur
本文通过对荣华二采区10...
2D/3D-QSAR Studies of [1,2,4]Triazolo[1,5-a]pridinylpyridine Derivatives as Potent Anticancer Agents
本文通过对荣华二采区10...
本文通过对荣华二采区10...
Studies on a Series of Coumarin Derivatives for Anticancer Activity against Breast Carcinoma Cell Li
本文通过对荣华二采区10...
本文通过对荣华二采区10...
3D-QSAR Studies on 4-([1,2,4]Triazolo[1,5-α] pyridin-6-yl)-5(3)-(6-methylpyridin-2-yl)imidazole Anal
本文通过对荣华二采区10...
本文通过对荣华二采区10...
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7......
Study on structure-activity relationship of mutation-dependent herbicide resistance acetohydroxyacid
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7......
通过比较分子力场分析方法 (CoMFA)和比较分子相似性指数分析方法 (CoMSIA) ,系统研究了 30个 2 烷基(烷硫基 ) 5 吡唑基 1,3,......
3D-QSAR studies of persistent organic pollutants (POPs) screening for atmosphere persistence were performed by comparati......
Receptor-based Molecular Designs of DABO Derivatives as HIV-1 Nonnucleoside Reverse Transcriptase In
A series of 46 dihydro-alkoxy-benzyl-oxopyrimidines (DABOs), a class of highly potent non-nucleoside reverse transcripta......
组胺H_3受体在体内参与调节很多神经递质的释放。人们预期,H_3受体拮抗剂将临床应用于老年性痴呆症、抑郁症、精神分裂症等中枢性......
成纤维细胞激活蛋白(FAP)与肿瘤微血管的形成和肿瘤的生长密切相关,是药物设计的理想靶点。本文运用分子对接分析51 个(4-喹啉)-甘......
指出了1-脱氧-D-木酮糖醇-5-磷酸还原异构酶（DXR）是细菌细胞壁合成中的关键物质2C-甲基-D-赤藓糖醇-4-磷酸（MEP）合成途径中的限速酶，该......
组蛋白去乙酰化酶抑制剂（histone deacetylase inhibitor,HDACi）是近年来治疗癌症的重要靶向药物,其中羟氨酸类,苯甲酰胺类多种药物......
A 3 D-QSAR about nAChRs agonists epibatidine analogues was performed using theCoMFA and CoMSIA. The correlation coeffici......
DFT and 3D-QSAR Studies of Anti-Cancer Agents m-（4- Morpholinoquinazolin-2-yl） Benzamide Derivatives
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采用分子对接方法完成了分子结构复杂多样的74个化合物的叠合,应用比较分子相似性指数分析方法（CoMSIA）研究了化合物与雌激素β受体（E......
The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied......
目的本研究采用比较分子力场分析法（comparative molecular field analysis，CoMFA）和比较分子相似性指数分析法（comparative molecular......
通过比较分子力场分析方法（CoMFA)和比较分子相似性指数分析方法（CoMSIA),系统研究了30个2－烷基（烷硫基）－5－吡唑基－1，3，4－恶二唑（噻二唑、三唑）......
采用比较分子力场 (CoMFA)分析法和比较分子相似性指标场(CoMSIA)分析法,进行偏最小二乘法(PLS)分析,建立了地棘蛙素类化合物的三......
HPPD酶抑制剂NTBC存在多种互变异构体，其优势构象受溶液环境影响显著，不同的观测手段确定NTBC的优势结构存在差异．本文首次采用了三维......
HPPD酶抑制剂NTBC存在多种互变异构体，其优势构象受溶液环境影响显著，不同的观测手段确定NTBC的优势结构存在差异．本文首次采用了三维......
