Two conformers of a tyrosine kinase inhibitor (AG-1478) disclosed using simulated UV-Vis absorption spectroscopy
Author:
Affiliation:
1. Centre for Micro-Photonics
2. Faculty of Science
3. Engineering and Technology
4. Swinburne University of Technology
5. Melbourne
6. Molecular Model Discovery Laboratory
7. Department of Chemistry and Biotechnology
8. School of Science
Abstract
A quantum mechanical rationale for the observed UV-Vis spectrum of anti-cancer drug AG-1478 was accomplished using two conformers.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2016/NJ/C6NJ01909A
Reference32 articles.
1. Fluorescence and analytical ultracentrifugation analyses of the interaction of the tyrosine kinase inhibitor, tyrphostin AG1478-mesylate, with albumin
2. Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents
3. Binding-induced, turn-on fluorescence of the EGFR/ERBB kinase inhibitor, lapatinib
4. Tyrosine Kinase Inhibition: An Approach to Drug Development
Cited by 17 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. Insights into Halogen-Induced Changes in 4-Anilinoquinazoline EGFR Inhibitors: A Computational Spectroscopic Study;Molecules;2024-06-12
2. Acetylresveratrol (AC-Res): An Evolving Frontier in Modulating Gene Expression;Current Gene Therapy;2024-06-10
3. Optical spectra of EGFR inhibitor AG-1478 for benchmarking DFT functionals;Electronic Structure;2023-06-01
4. Future of computational molecular spectroscopy—from supporting interpretation to leading the innovation;Physical Chemistry Chemical Physics;2023
5. Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential antitumor activity;Journal of Biomolecular Structure and Dynamics;2022-06-08
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