基于结构的生物活性化合物设计。
Structure-Based Design of Biologically Active Compounds.
机构信息
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, via Aldo Moro 2, 53100 Siena, Italy.
出版信息
Molecules. 2020 Jul 8;25(14):3115. doi: 10.3390/molecules25143115.
Abstract
The past decades have witnessed tremendous progress in the detailed structural knowledge of proteins as potential or validated drug targets and the discovery of new drugs based on this wealth of knowledge progressed in parallel [...].
摘要
过去几十年见证了作为潜在或验证药物靶点的蛋白质的详细结构知识的巨大进展，并且基于这一丰富知识的新药发现也在平行推进。
相似文献
1
Structure-Based Design of Biologically Active Compounds.基于结构的生物活性化合物设计。
Molecules. 2020 Jul 8;25(14):3115. doi: 10.3390/molecules25143115.
2
[Development of antituberculous drugs: current status and future prospects].[抗结核药物的研发：现状与未来前景]
Kekkaku. 2006 Dec;81(12):753-74.
3
Mechanisms of Action for Small Molecules Revealed by Structural Biology in Drug Discovery.结构生物学在药物发现中揭示小分子的作用机制。
Int J Mol Sci. 2020 Jul 24;21(15):5262. doi: 10.3390/ijms21155262.
4
Recent advances in retrometabolic drug design (RMDD) and development.逆向代谢药物设计（RMDD）与开发的最新进展。
Pharmazie. 2010 Jun;65(6):395-403. doi: 10.1002/chin.201037268.
5
Intrinsically disordered proteins and novel strategies for drug discovery.无规则卷曲蛋白质与新药研发策略
Expert Opin Drug Discov. 2012 Jun;7(6):475-88. doi: 10.1517/17460441.2012.686489. Epub 2012 May 5.
6
Advances in Computational Structure-Based Drug Design and Application in Drug Discovery.基于计算结构的药物设计进展及其在药物发现中的应用
Curr Top Med Chem. 2016;16(9):901-16. doi: 10.2174/1568026615666150825142002.
7
Molecular Targets of Active Anticancer Compounds Derived from Marine Sources.海洋来源的活性抗癌化合物的分子靶点。
Mar Drugs. 2018 May 22;16(5):175. doi: 10.3390/md16050175.
8
In silico carborane docking to proteins and potential drug targets.计算机模拟碳硼烷对接蛋白质和潜在药物靶标。
J Chem Inf Model. 2011 Aug 22;51(8):1882-96. doi: 10.1021/ci200216z. Epub 2011 Aug 8.
9
The role of structure in kinase-targeted inhibitor design.结构在激酶靶向抑制剂设计中的作用。
Curr Opin Drug Discov Devel. 2004 Jul;7(4):428-36.
10
Investigation of innovative synthesis of biologically active compounds on the basis of newly developed reactions.基于新开发反应的生物活性化合物创新合成研究。
Chem Pharm Bull (Tokyo). 2012;60(6):687-705. doi: 10.1248/cpb.60.687.
引用本文的文献
1
Structure based Drug Designing Approaches in SARS-CoV-2 Spike Inhibitor Design.基于结构的药物设计方法在新冠病毒刺突蛋白抑制剂设计中的应用
Curr Top Med Chem. 2022;22(29):2396-2409. doi: 10.2174/1568026623666221103091658.
本文引用的文献
1
Synthesis, Biological Evaluation and In Silico Studies of Certain Oxindole-Indole Conjugates as Anticancer CDK Inhibitors.某些吲哚-氧吲哚共轭物作为抗癌 CDK 抑制剂的合成、生物评价及计算机辅助研究。
Molecules. 2020 Apr 27;25(9):2031. doi: 10.3390/molecules25092031.
2
Targeting Trypanothione Reductase, a Key Enzyme in the Redox Trypanosomatid Metabolism, to Develop New Drugs against Leishmaniasis and Trypanosomiases.针对氧化还原原生动物代谢中的关键酶——硫醇还原酶，开发治疗利什曼病和锥虫病的新药。
Molecules. 2020 Apr 21;25(8):1924. doi: 10.3390/molecules25081924.
3
In Silico Screening for Novel Leucine Aminopeptidase Inhibitors with 3,4-Dihydroisoquinoline Scaffold.基于 3,4-二氢异喹啉骨架的新型亮氨酰肽酶抑制剂的计算机筛选。
Molecules. 2020 Apr 10;25(7):1753. doi: 10.3390/molecules25071753.
4
A Supramolecular Approach to Structure-Based Design with A Focus on Synthons Hierarchy in Ornithine-Derived Ligands: Review, Synthesis, Experimental and in Silico Studies.基于结构的设计的超分子方法：重点关注鸟氨酸衍生配体中的合成子层次结构：综述、合成、实验和计算研究。
Molecules. 2020 Mar 3;25(5):1135. doi: 10.3390/molecules25051135.
5
Covalent Inhibition of the Histamine H Receptor.组胺 H 受体的共价抑制。
Molecules. 2019 Dec 11;24(24):4541. doi: 10.3390/molecules24244541.
6
A Repurposing Approach for Uncovering the Anti-Tubercular Activity of FDA-Approved Drugs with Potential Multi-Targeting Profiles.重新利用 FDA 批准药物的方法揭示具有潜在多靶点特征的抗结核活性。
Molecules. 2019 Nov 29;24(23):4373. doi: 10.3390/molecules24234373.
7
Identification of The Fipronil Resistance Associated Mutations in GABA Receptors by Molecular Modeling.通过分子建模鉴定 GABA 受体中的氟虫腈抗性相关突变。
Molecules. 2019 Nov 14;24(22):4116. doi: 10.3390/molecules24224116.
8
Investigation of Molecular Details of Keap1-Nrf2 Inhibitors Using Molecular Dynamics and Umbrella Sampling Techniques.使用分子动力学和伞状采样技术研究 Keap1-Nrf2 抑制剂的分子细节。
Molecules. 2019 Nov 12;24(22):4085. doi: 10.3390/molecules24224085.
9
Pharmacophoric Site Identification and Inhibitor Design for Autotaxin.自动分泌酶的药效基团鉴定和抑制剂设计。
Molecules. 2019 Aug 1;24(15):2808. doi: 10.3390/molecules24152808.
10
Anticancer Function and ROS-Mediated Multi-Targeting Anticancer Mechanisms of Copper (II) 2-hydroxy-1-naphthaldehyde Complexes.铜（II）2-羟基-1-萘醛配合物的抗癌功能及活性氧介导的多靶点抗癌机制。
Molecules. 2019 Jul 12;24(14):2544. doi: 10.3390/molecules24142544.
Zotero 插件