Ligand- and structure-based virtual screening to discover dual EGFR and BRD4 inhibitors

被引:1
|
作者
Allen, Bryce [1 ]
Mehta, Saurabh [1 ]
Ayad, Nagi [1 ]
Schuerer, Stephan [1 ]
机构
[1] Univ Miami, Miller Sch Med, Miami, FL 33136 USA
关键词
D O I
10.1158/1538-7445.AM2015-3690
中图分类号
R73 [肿瘤学];
学科分类号
100214 ;
摘要
3690
引用
收藏
页数:1
相关论文
共 50 条
  • [41] Structure-based virtual screening of dipeptidyl peptidase 4 inhibitors and their in vitro analysis
    Rahman, Shafiq Ur
    Ali, Hafiz Saqib
    Jafari, Behzad
    Zaib, Sumera
    Hameed, Abdul
    Al-Kahraman, Yasser M. S. A.
    Langer, Peter
    Iqbal, Jamshed
    [J]. COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 91
  • [42] Fragment-Based Drug Discovery of 2-Thiazolidinones as BRD4 Inhibitors: 2. Structure-Based Optimization
    Zhao, Lele
    Wang, Yingqing
    Cao, Danyan
    Chen, Tiantian
    Wang, Qi
    Li, Yanlian
    Xu, Yechun
    Zhang, Naixia
    Wang, Xin
    Chen, Danqi
    Chen, Lin
    Chen, Yue-Lei
    Xia, Guangxin
    Shi, Zhe
    Liu, Yu-Chih
    Lin, Yijyun
    Miao, Zehong
    Shen, Jingkang
    Xiong, Bing
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2015, 58 (03) : 1281 - 1297
  • [43] Pharmacophore modeling, docking and the integrated use of a ligand- and structure-based virtual screening approach for novel DNA gyrase inhibitors: synthetic and biological evaluation studies
    Mathpal, Deepti
    Masand, Mukesh
    Thomas, Anisha
    Ahmad, Irfan
    Saeed, Mohd
    Zaman, Gaffar Sarwar
    Kamal, Mehnaz
    Jawaid, Talha
    Sharma, Pramod K.
    Gupta, Madan M.
    Kumar, Santosh
    Srivastava, Swayam Prakash
    Balaramnavar, Vishal M.
    [J]. RSC ADVANCES, 2021, 11 (55) : 34462 - 34478
  • [44] Selection of antileishmanial sesquiterpene lactones from SistematX database using a combined ligand-/structure-based virtual screening approach
    Herrera-Acevedo, Chonny
    Dos Santos Maia, Mayara
    Cavalcanti, Elida Batista Vieira Sousa
    Coy-Barrera, Ericsson
    Scotti, Luciana
    Scotti, Marcus Tullius
    [J]. MOLECULAR DIVERSITY, 2021, 25 (04) : 2411 - 2427
  • [45] Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data
    Lindh, Martin
    Svensson, Fredrik
    Schaal, Wesley
    Zhang, Jin
    Skold, Christian
    Brandt, Peter
    Karlen, Anders
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 55 (02) : 343 - 353
  • [46] Dual-target Inhibitors Based on BRD4: Novel Therapeutic Approaches for Cancer
    Zhang, Sitao
    Chen, Yanzhao
    Tian, Chengsen
    He, Yujing
    Tian, Zeru
    Wan, Yichao
    Liu, Tingting
    [J]. CURRENT MEDICINAL CHEMISTRY, 2021, 28 (09) : 1775 - 1795
  • [47] Ligand- and Structure-Based Virtual Screening for Clathrodin-Derived Human Voltage-Gated Sodium Channel Modulators
    Tomasic, Tihomir
    Hartzoulakis, Basil
    Zidar, Nace
    Chan, Fiona
    Kirby, Robert W.
    Madge, David J.
    Peigneur, Steve
    Tytgat, Jan
    Kikelj, Danijel
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 53 (12) : 3223 - 3232
  • [48] Selection of antileishmanial sesquiterpene lactones from SistematX database using a combined ligand-/structure-based virtual screening approach
    Chonny Herrera-Acevedo
    Mayara Dos Santos Maia
    Élida Batista Vieira Sousa Cavalcanti
    Ericsson Coy-Barrera
    Luciana Scotti
    Marcus Tullius Scotti
    [J]. Molecular Diversity, 2021, 25 : 2411 - 2427
  • [49] In Silico Design of New Dual Inhibitors of SARS-CoV-2 MPRO through Ligand- and Structure-Based Methods
    Bono, Alessia
    Lauria, Antonino
    La Monica, Gabriele
    Alamia, Federica
    Mingoia, Francesco
    Martorana, Annamaria
    [J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2023, 24 (09)
  • [50] Identification of small-molecule inhibitors against SecA by structure-based virtual ligand screening
    Evelien De Waelheyns
    Kenneth Segers
    Marios Frantzeskos Sardis
    Jozef Anné
    Gerry A F Nicolaes
    Anastassios Economou
    [J]. The Journal of Antibiotics, 2015, 68 : 666 - 673