3D-QSAR and Molecular Docking Studies of Nitrogen-containing Bisphosphonate Inhibitors of the Human

来源 :第十三届全国计算机化学学会会议 | 被引量 : 0次 | 上传用户：nish2008

【摘要】

：

Human farnesyl pyrophosphate synthase(hFPPS)is known to produce farnesyl pyrophosphate,which is an isoprenoid essential for a variety of cellular processes,such as mevalonate pathway.The enzyme hFPPS

【作者】

：

Qingzhu Liu Yang Wang Shanshan Wang Jianguo Lin Ling Qiu

【机构】

：

Key Laboratory of Nuclear Medicine,Ministry of Health & Jiangsu Key Laboratory of Molecular Nuclear

【出处】

：

第十三届全国计算机化学学会会议

【发表日期】

：

2015年7期

【关键词】

：

Nitrogen-containing bisphsphonates (N-BPs) Human farnesyl pyrophosphate synthase

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

　　Human farnesyl pyrophosphate synthase(hFPPS)is known to produce farnesyl pyrophosphate,which is an isoprenoid essential for a variety of cellular processes,such as mevalonate pathway.The enzyme hFPPS has also been well established as the molecular target of the nitrogen-containing bisphosphonates(N-BPs),which are best known for their antiresorptive effects in bone and their anticancer properties.

其他文献

递归小波方法峰检测和解卷积方法及其应用

在色谱、分子光谱等分析信号中，准确的峰检测对后续的分析非常重要。然而，重叠峰对主要峰参数的确定影响严重，增加了进一步数据分析的难度。在本文中，我们提出递归小波峰检测和解卷积方法(RWPD)，该方法主要针对重叠峰进行峰检测、解卷积和主要峰参数的估计。

会议

峰检测解卷积:重叠峰:连续小波变换:遗传算法

DOX:A new computational protocol for accurate prediction of the protein-ligand binding structures

Molecular docking techniques have now been widely used to predict the protein-ligand binding modes,especially when the structures of crystal complexes are not available.Most docking algorithms are abl

会议

A Two-stage Spectral library Search Algorithm Using the Lifting Wavelet Translation for ComplicatedM

Gas chromatography-mass spectrometry(GC-MS)is an important and powerful tool that facilitates work in diverse fields concerned with complex mixtures of organic compounds.One of the most important proc

会议

Mass spectrometrylifting wavelet decompositionSpectral Library Search

New Insights into the Interactions of Platinum Drugs with DNA by an ONIOM(DFT:MM)Study

Two-layer ONIOM calculations combined quantum mechanics(QM)and molecular mechanics(MM)were performed to explore the binding modes of five novel cis-platinum anticancer drugs(Fig.1)with DNA.In the pres

会议

ONIOMDensity functional theory (DFT)Platinum drugDrug-DNA adduct

New Insights into the Chemical Druggability Prediction 1:Toward Constructing Reliable Drug and Bench

Quantitative or qualitative characterization of the drug-like features of known drugs can help medicinal chemists to select higher quality drug leads from a huge pool of compounds and to improve the e

会议

Quantum Chemistry Calculation-Aided Optimization of Novel Tubulin Polymerization Inhibitors with Hig

Microtubules are an attractive molecular target for anticancer agents.Combretastatin A-4(CA-4)is strong tubulin polymerization inhibitors binding to the colchicine site and can strongly block tumor gr

会议

Tubulin polymerization inhibitorQuantum chemistry calculationCis-trans isomeri

Structure-based Rational Design of Potent and Novel Inhibitors against Fructose-1,6-Bisphosphate Ald

Class II fructose bis-phosphate aldolases(FBA-II) are potential and particularly attractive new targets for the discovery of drugs to combat invasive bacterial and fungal infection,because of their oc

会议

Structure-based virtual screening for low molecular weight chemical starting points as p21-activated

P21-activated kinase 4(PAK4),a serine/threonine protein kinase,was originally identified as an effector protein for Rho-family GTPases.1 PAK4 plays an important role in regulating cytoskeletal organiz

会议

PAK4virtual screeninganticancer agents

Simultaneous determination of 2,4,6-trinitrotoluene and dinitrotoluene isomers in natural water by U

2,4,6-trinitrotoluene(TNT)and its byproducts Drinitrotoluene(DNT)pose a significant risk to human health and other living organisms.Nowadays,the existing quantitative methods generally have some short

会议

UV-Vis246-trinitrotoluene and dinitrotoluene isomersquantitative analysisch

Understanding agonism,antagonism and activation of aminergic GPCRs--Drug design targeted at dopamine

As the largest family of integral membrane proteins,G-protein-coupled receptors(GPCRs) comprise the largest class of therapeutic targets that aimed by approximately 45 ％of modern medicinal drugs.There

会议

3D-QSAR and Molecular Docking Studies of Nitrogen-containing Bisphosphonate Inhibitors of the Human

其他学术论文