Macrocyclic effect on inhibitory activity: a modeling study on MerTK inhibitors
Author:
Publisher
Springer Science and Business Media LLC
Subject
Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics
Link
http://link.springer.com/content/pdf/10.1007/s00044-019-02424-3.pdf
Reference52 articles.
1. Balupuri A, Balasubramanian PK, Cho SJ (2015) Molecular modeling study on Mer kinase inhibitors using 3D-QSAR and docking approaches. Med Chem Res 24:3730–3742
2. Balupuri A, Balasubramanian PK, Cho SJ (2016) Determination of structural requirements of Mer kinase inhibitors and binding interaction analysis using in silico approaches. Med Chem Res 25:3021–3029
3. Berthod H, Giessner-Prettre C, Pullman A (1967) Sur les rôles respectifs des électrons σ et π dans les propriétés des dérivés halogénés des molécules conjuguées. application à l'étude de l’uracile et du fluorouracile. Theor Chim Acta 8:212–222
4. Bridger GJ, Skerlj RT, Thornton D, Padmanabhan S, Martellucci SA, Henson GW, Abrams MJ, Yamamoto N, Vreese KD, Pauwels R, De Clercq E (1995) Synthesis and structure-activity relationships of phenylenebis (methylene)-linked bis-tetraazamacrocycles that inhibit HIV replication. Effects of macrocyclic ring size and substituents on the aromatic linker. J Med Chem 38:366–378
5. Chirico N, Gramatica P (2012) Real external predictivity of QSAR models. Part 2. New intercomparable thresholds for different validation criteria and the need for scatter plot inspection. J Chem Inf Model 52:2044–2058
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. An Intriguing Purview on the Design of Macrocyclic Inhibitors for Unexplored Protein Kinases through Their Binding Site Comparison;Pharmaceuticals;2023-07-17
2. Molecular dynamics, MMGBSA, and docking studies of natural products conjugated to tumor-targeted peptide for targeting BRAF V600E and MERTK receptors;Molecular Diversity;2022-05-03
3. Exploration of the selective binding mechanism of GSK3β via molecular modeling and molecular dynamics simulation studies;Medicinal Chemistry Research;2020-01-27
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3