Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations
Author:
Funder
China Scholarship Council
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
https://link.springer.com/content/pdf/10.1007/s10822-021-00382-w.pdf
Reference132 articles.
1. Edwards AA, Mason JM, Clinch K, Tyler PC, Evans GB, Schramm VL (2009) Altered enthalpy− entropy compensation in picomolar transition state analogues of human purine nucleoside phosphorylase. Biochemistry 48:5226–5238
2. Suarez J, Haapalainen AM, Cahill SM, Ho M-C, Yan F, Almo SC, Schramm VL (2013) Catalytic site conformations in human PNP by 19F-NMR and crystallography. Chem Biol 20:212–222
3. Edwards AA, Tipton JD, Brenowitz MD, Emmett MR, Marshall AG, Evans GB, Tyler PC, Schramm VL (2010) Conformational states of human purine nucleoside phosphorylase at rest, at work, and with transition state analogues. Biochemistry 49:2058–2067
4. Glavaš-Obrovac L, Suver M, Hikishima S, Hashimoto M, Yokomatsu T, Magnowska L, Bzowska A (2010) Antiproliferative activity of purine nucleoside phosphorylase multisubstrate analogue inhibitors containing difluoromethylene phosphonic acid against leukaemia and lymphoma cells. Chem Biol Drug Des 75:392–399
5. Thomas K, Haapalainen AM, Burgos ES, Evans GB, Tyler PC, Gulab S, Guan R, Schramm VL (2012) Femtomolar inhibitors bind to 5′-methylthioadenosine nucleosidases with favorable enthalpy and entropy. Biochemistry 51:7541–7550
Cited by 9 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. Molecular modelling of ionic liquids: Perfluorinated anionic species with enlarged halogen substitutions;Journal of Molecular Liquids;2023-05
2. A General Picture of Cucurbit[8]uril Host–Guest Binding: Recalibrating Bonded Interactions;Molecules;2023-03-31
3. Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host–Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation;Molecules;2023-03-19
4. Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host–guest binding: I. Standard procedure;Journal of Computer-Aided Molecular Design;2022-09-22
5. Optimization of Intelligent Display Mode of Museum Cultural Relics Based on Intelligent Wireless Sensor Network;Journal of Sensors;2022-08-29
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