CINF 72-Methods for effective virtual screening and scaffold-hopping in chemical compounds

被引：0
|
作者：
Wale, Nikil [1 ]
Karypis, George [1 ]
Watson, Ian A. [2 ]
机构：
[1] Univ Minnesota, Dept Comp Sci, Minneapolis, MN 47408 USA
[2] Eli Lilly & Co, Indianapolis, IN 46285 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2007年 / 234卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
72-CINF
引用
收藏
页数：1
相关论文
共 50 条
  • [31] Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: Ranking, voting, and consensus scoring
    Zhang, Q
    Muegge, I
    JOURNAL OF MEDICINAL CHEMISTRY, 2006, 49 (05) : 1536 - 1548
  • [32] Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties
    Miyao, Tomoyuki
    Funatsu, Kimito
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 59 (06) : 2626 - 2641
  • [33] Virtual Screening Methods as Tools for Drug Lead Discovery from Large Chemical Libraries
    Ma, X. H.
    Zhu, F.
    Liu, X.
    Shi, Z.
    Zhang, J. X.
    Yang, S. Y.
    Wei, Y. Q.
    Chen, Y. Z.
    CURRENT MEDICINAL CHEMISTRY, 2012, 19 (32) : 5562 - 5571
  • [34] Discovery of Novel Small Molecule Inhibitors of Dengue Viral NS2B-NS3 Protease Using Virtual Screening and Scaffold Hopping
    Deng, Jing
    Li, Ning
    Liu, Hongchuan
    Zuo, Zhili
    Liew, Oi Wah
    Xu, Weijun
    Chen, Gang
    Tong, Xiankun
    Tang, Wei
    Zhu, Jin
    Zuo, Jianping
    Jiang, Hualiang
    Yang, Cai-Guang
    Li, Jian
    Zhu, Weiliang
    JOURNAL OF MEDICINAL CHEMISTRY, 2012, 55 (14) : 6278 - 6293
  • [35] 3D-QSAR, Scaffold Hopping, Virtual Screening, and Molecular Dynamics Simulations of Pyridin-2-one as mIDH1 Inhibitors
    Wang, Yifan
    Jia, Shunjiang
    Wang, Fan
    Jiang, Ruizhe
    Yin, Xiaodan
    Wang, Shuo
    Jin, Ruyi
    Guo, Hui
    Tang, Yuping
    Wang, Yuwei
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2024, 25 (13)
  • [36] USE OF SOME BIOCHEMICAL METHODS IN SCREENING CHEMICAL COMPOUNDS BY TAKING ACCOUNT OF DIURNAL RHYTHMS
    BESPALOV, AM
    ANTONYAN, SG
    DOMRACHEV, NV
    SHIFRINA, SV
    KHIMIKO-FARMATSEVTICHESKII ZHURNAL, 1977, 11 (03): : 7 - 9
  • [37] Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources
    Yan, Xin
    Liao, Chenzhong
    Liu, Zhihong
    Hagler, Arnold T.
    Gu, Qiong
    Xu, Jun
    CURRENT DRUG TARGETS, 2016, 17 (14) : 1580 - 1585
  • [38] Virtual screening of antimicrobial plant extracts by machine-learning classification of chemical compounds in semantic space
    Yabuuchi, Hiroaki
    Hayashi, Kazuhito
    Shigemoto, Akihiko
    Fujiwara, Makiko
    Nomura, Yuhei
    Nakashima, Mayumi
    Ogusu, Takeshi
    Mori, Megumi
    Tokumoto, Shin-ichi
    Miyai, Kazuyuki
    PLOS ONE, 2023, 18 (05):
  • [39] Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening
    Durai, Prasannavenkatesh
    Ko, Young-Joon
    Pan, Cheol-Ho
    Park, Keunwan
    BMC BIOINFORMATICS, 2020, 21 (01)
  • [40] Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening
    Prasannavenkatesh Durai
    Young-Joon Ko
    Cheol-Ho Pan
    Keunwan Park
    BMC Bioinformatics, 21
12345