The Contribution of Atom Accessibility to Site of Metabolism Models for Cytochromes P450
Author:
Affiliation:
1. Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Pharmaceutical Science,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/mp3005116
Reference52 articles.
1. Cytochrome P450s and other enzymes in drug metabolism and toxicity
2. Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
3. Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures
4. Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6
5. Fast Prediction of Cytochrome P450 Mediated Drug Metabolism
Cited by 40 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. Identification and characterization of the in-vivo metabolites of the novel soluble epoxide hydrolase inhibitor EC5026 using liquid chromatography quadrupole time of flight mass spectrometry;Journal of Pharmaceutical and Biomedical Analysis;2024-07
2. Predictive Modelling in pharmacokinetics: from in-silico simulations to personalized medicine;Expert Opinion on Drug Metabolism & Toxicology;2024-03-20
3. Comparison and summary of in silico prediction tools for CYP450-mediated drug metabolism;Drug Discovery Today;2023-10
4. An in silico evaluation of dipeptidyl peptidase-4 (DPP-4) inhibiting potential of Cajanus cajan, Coccinia grandis and Enhydra fluctuans;2023 International Conference on Communication, Circuits, and Systems (IC3S);2023-05-26
5. Assessment of the Xenobiotics Toxicity Taking into Account Their Metabolism;Machine Learning and Deep Learning in Computational Toxicology;2023
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