structure-activity相关论文
In our long-term efforts searching for antimalarial agents from Chinese medicinal plants,seven novel dimeric sesquiterpe......
Nano-catalysis plays a vital role in the industrially chemical transformations.The increasingly severe energy crisis and......
Research progress on naturally-occurring and semi-synthetic ocotil-lol-type ginsenosides in the genu
Ocotillol(OT)-type ginsenosides,one subtype of ginsenosides,consist of a dammarane skeleton and a tetrahydrofuiran ring.......
A novel ω-conotoxin Bu8 inhibiting N-type voltage-gated calcium channels displays potent analgesic a
ω-Conotoxins inhibit N-type voltage-gated calcium(Cav2.2)channels and exhibit efficacy in attenuating neuropathic pain ......
Insulation and Flame Retardancy Improvement of PBDEs Using 3D-QSAR Model Combined with a Fuzzy Membe
A three-dimensional quantitative structure-activity relationship(3D-QSAR)model based on the fuzzy membership function me......
To study the structure-activity relationship of endomorphins (EMs), the action of opioid receptor binding (AORB), analge......
Artificial Neural Networks Applied to the Quantitative Structure-Activity Relationship Study of Para
The artificial neural network (ANN) model with back-propagation of error is used to study the quantitative structure-act......
Modeling the depuration rates of polychlorinated biphenyls in two mussel species with theoretical mo
Using theoretical molecular descriptors as well as partial least squares(PLS) regression,two quantitative structure-acti......
QSAR study on estrogenic activity of structurally diverse compounds using generalized regression neu
Computer-based quantitative structure-activity relationship (QSAR) model has been becoming a pow- erful tool in understa......
In view of quantum pharmacology, the structure-activity relationships of different kinds of fused heterocydic sulfonamid......
Study on the quantitative structureactivity relation-ship of C-10 substituted artemisinin (QHS)’s de
The structure-activity relationship study of C-10 substituted artemisinin (QHS) derivatives that are used as antimalaria......
作者基于课题组先前得到的具有较强α7烟碱型乙酰胆碱受体Ⅰ型正向变构调节剂活性的先导化合物2,设计并合成了一系列的6位取代的3H......
Synthesis and biological evaluation of piperidyl benzimidazole carboxamide derivatives as potent PAR
We have synthesized a series of compounds based on a piperidyl benzimidazole carboxamide structure, and tested their PAR......
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......
癌症是仅次于心脑血管疾病的第二大类致死性疾病,每年数百万人因此丧生。抗肿瘤药物对癌症的防治至关重要,然而目前的抗肿瘤药物特......
利用ＣＮＤＯ／２（全略微分重叠半经验分子轨道法）和ＭＭＰＩ（适于含π体系计算的分子力学法）对喹诺酮类化合物Ｃ－２位构效关系进行了研究，结果表明：羧基与酮基的共......
Ｇｅｎｏｔｏｘｉｃｉｔｙｏｆｓｕｂｓｔｉｔｕｔｅｄｎｉｔｒｏｂｅｎｚｅｎｅｓａｎｄｔｈｅｑｕａｎｔｉｔａｔｉｖｅｓｔｒｕｃｔｕｒｅ－ａｃｔｉｖｉｔｙｒｅｌａｔｉｏｎｓｈｉｐ￥ＨｕａｎｇＱｉｎｇｇｕｏ；ＬｉｕＹｏｎｇｂｉｎ；ＷａｎｇＬｉａｎｓｈｅｎｇ；.........
化疗是治疗肿瘤的主要手段之一,多药耐药性的产生是肿瘤化疗中存在的主要问题.开发多药耐药逆转剂,逆转现有化疗药物的耐药性将是......
目的寻找和设计新的HMG-CoA还原酶抑制剂.方法采用硼氢化钠-氯化镍法对穿心莲内酯的α,β′-不饱和内酯的双键在甲醇溶液中,-5～5 ℃......
明确催化剂的活性位本质和构建多相催化的结构和反应性能之间的准确关系是催化基础研究的重点，表面科学研究基于丰富的表征测试手段......
Prediction of Blood-to-Brain Barrier Partitioning of Drugs and Organic Compounds Using a QSPR Approa
The purpose of this study was to develop a quantitative structure-property relationship （QSPR） model based on the enhanced......
海洋生物因其生存环境不同而蕴藏着许多结构独特、功能各异的活性物质。海洋生物活性肽具有多种生物学功能,如抗氧化、抗炎症、抗......
1,3,4-Oxadiazole derivatives (4a–5f) were previously synthesized to investigate their anticancer properties.However,stu......
INFLUENCES OF MOLECULAR WEIGHT AND BRANCHING PARAMETER OF LACQUER POLYSACCHARIDE ON THE GROWTH OF LE
A method of determining branching parameter of lacquer polysaccharide wasestablished by acid-base back-titration of term......
Synthesis of Trihydrocarbyltin Chloride Containing Silicon and Crystal Structure of (p-Cl-C6H4Me2SiC
A series of trihydrocarbyltin chlorides containing silicon was synthesized. The acaricidal activity was determined and t......
目的：研究4-羟基肉桂酸（4-HCA）衍生物清除羟自由基（·OH）活性并初步分析其构效关系。方法：用邻菲罗啉化学发光法测定4-HCA衍生物清除......
Studies on the Structure-Activity Relationship of p-Substituted Thiobenzanilides as Extractant for P
Introduction The metal extraction is a process of complex formation by organic ligands with metal ions or corresponding ......
Quantitative Structure-Activity Relationship Study of Some Antipsychotics by Multiple Linear Regress
The retention behavior and lipophilicity parameters of some antiphychotics were determined using reversed-phase thin lay......
Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of E3024, a Novel and Selective Dipeptid
E3024 (3-but-2-ynyl-5-methyl-2-piperazin-1-yl-3,5-dihydro-4H-imidazo[4,5-d]pyridazin-4-one tosylate) is a dipeptidyl pep......
The relationship between chemical structures and photodegradation activity of 12 PAHs is studied using DFT and HFmethods......
The pathogenesis of Alzheimer’s disease (AD) putatively involves a compromised blood-brain barrier (BBB). In particular......
5-Substituted benzylidene 3-acylthiotetronic acids are antifungal.A series of 3-acylthiotetronic acid derivatives with v......
In this paper,we present a 3D printed tumor spheroidal model suitable for drug discovery.This model is based on a hydrox......
