Ligand-based prediction on subtype selectivity of adenosine receptorligands

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：gbnew

【摘要】

：

　　Adenosine receptors are widely considered promising therapeutic targets,including four different subtypes,referred to as A1,A2A,A2B,and A3,which are widely

【作者】

：

Song-Bing He Ben Hu De-Xin Kong

【机构】

：

StateKeyLaboratoryofAgriculturalMicrobiology,Collegeofinformatics,HuazhongAgriculturalUniversity,Wuh

【出处】

：

第十三届全国计算机化学学会会议

【发表日期】

：

2015年11期

【关键词】

：

Adenosine receptor subtype Selectivity Feature selection Virtual screening

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

　　Adenosine receptors are widely considered promising therapeutic targets,including four different subtypes,referred to as A1,A2A,A2B,and A3,which are widely but differentially distributed in the tissues.At present,the study on the selectivity of adenosine receptor ligands has received extensive and sustained attention.

其他文献

Predicting cancer-relevant proteins with molecular similarity ensemble approach

　　Cancer poses a great threat to us,but traditional treatments usually cause serious side effects.It is urgent to develop novel anticancer drugs that specific

会议

ChemoinformaticsCancerCancer cell lineDrug development

萘二酰亚胺类电子受体材料分子设计与开路电压的理论调控

　　采用密度泛函理论预测了6 个萘二酰亚胺(NDI)衍生物电子受体分子An(n=1-6)的几何构型、前线轨道特征及吸收光谱,并分别与选定的3 个给体分子Dm(m=1-3)组合,构建给/受体(D

会议

萘二酰亚胺给/受体界面模拟电子耦合开路电压能量转换效率

Prediction of Estrogen Receptor Subtype-Selective Ligands Using Three-Dimensional Biologically Relev

　　Estrogen receptor(ER)belongs to the nuclear receptor family of ligand modulated transcriptional factors,which has two subtypes,ERα and ERβ.The functions a

会议

囊泡演化动力学的计算机模拟

　　囊泡有生物囊泡和聚合物囊泡之分，它中空的结构特征使其在药物负载，化学储藏和垃圾运输中扮演重要角色，这些过程的完成往往与囊泡的生成机理及动力学演化过程息息相关。因此

会议

囊泡生成机理动力学演化计算机模拟

N-(5-(arylcarbonyl)thiazolthiophen-2-yl)amides抑制剂和RORγt作用机理的理论模拟研究

　　As potential retinoid-related orphan receptor-gamma-t(RORγt)inhibitors,N-(5-(arylcarbonyl)thiazol/thiophen-2-yl)amides show an efficacy in both experimenta

会议

MLRSMILESRORγt inhibitorsMolecular DockingMolecular Dynamics Simulation

Mutual benefits between medical genetics and drug discovery

Genome-wide association studies(GWAS) have been instrumental in identifying single nucleotide polymorphisms(SNPs) responsible for human diseases or traits,which

会议

Molecular Modeling of Corrosion Inhibition of Nitrogen-containing Heterocyclic Compounds on Cu Surfa

　　Corrosion inhibitors played important roles in the metal protection project,and they are becoming more and more important in the national economy constructi

会议

Molecular dynamics simulations provide insight into the mechanism of the mutation-caused constitutiv

　　G-protein-coupled receptors(GPCRs)are versatile signal regulators and pivotal targets for wide spectrum of diseases which third of marketed drugs act on.Exp

会议

膜结合型前列腺素E合酶I型抑制剂的构效关系研究

　　目前非甾体抗炎药是全球使用最多的药物种类之一，全世界大约每天有3000 万人在使用。传统的NSAIDs 都存在一定的副作用，如潜在的心血管和消化道出血风险。因此，开发安全性更

会议

mPGES-1mPGES-1抑制剂自组织神经网络(SOM)支持向量机(SVM)

Long Chain Groups Modification of(15,15)Carbon Nanotubes with Diameter Larger than 2nm and the Desal

　　Different charged functional groups including-COO-and-NH3+with long aliphatic chain were added to entrance and interior of(15,15)armchair carbon nanotubes(C

会议

Ligand-based prediction on subtype selectivity of adenosine receptorligands

其他学术论文