De novo structure-based design of bis-urea hosts for tetrahedral oxoanion guests

被引:0
|
作者
Hay, Benjamin P. [1 ]
Bryantsev, Vyacheslav [1 ]
机构
[1] Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
415-ORGN
引用
收藏
页数:2
相关论文
共 50 条
  • [41] De novo design of anti-tuberculosis agents using a structure-based deep learning method
    Krishnan, Sowmya Ramaswamy
    Bung, Navneet
    Padhi, Siladitya
    Bulusu, Gopalakrishnan
    Misra, Parimal
    Pal, Manojit
    Oruganti, Srinivas
    Srinivasan, Rajgopal
    Roy, Arijit
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 118
  • [42] Structure-based de novo design and biochemical evaluation of novel Cdc25 phosphatase inhibitors
    Park, Hwangseo
    Bahn, Young Jae
    Ryu, Seong Eon
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2009, 19 (15) : 4330 - 4334
  • [43] Structure-based de novo drug design using 3D deep generative models
    Li, Yibo
    Pei, Jianfeng
    Lai, Luhua
    CHEMICAL SCIENCE, 2021, 12 (41) : 13664 - 13675
  • [44] Discovery of dipeptidyl peptidase IV (DPP-IV) inhibitors by structure-based de novo design
    Qiao, L
    Baumann, C
    Crysler, C
    Ninan, N
    Abad, M
    Spurlino, J
    DesJarlais, R
    Kervinen, J
    Neeper, M
    Bayoumy, S
    Williams, R
    Deckman, I
    Tomczuk, B
    Moriarty, K
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U145 - U145
  • [45] Structure-based de novo design of ligands using a three-dimensional model of the insulin receptor
    Tan, C
    Wei, LH
    Ottensmeyer, FP
    Goldfine, I
    Maddux, BA
    Yip, CC
    Batey, RA
    Kotra, LP
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2004, 14 (06) : 1407 - 1410
  • [46] De novo design of urea-based receptors for anions.
    Bryantsev, V
    Hay, BP
    Moyer, BA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U540 - U540
  • [47] Structure-based de novo design and synthesis of aminothiazole-based p38 MAP kinase inhibitors
    Park, Hwangseo
    Lee, Soyoung
    Hong, Sungwoo
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2015, 25 (18) : 3784 - 3787
  • [48] De Novo Design of Inhibitors of DNA Methyltransferase 1: A Critical Comparison of Ligand- and Structure-Based Approaches
    Prado-Romero, Diana L.
    Saldivar-Gonzalez, Fernanda I.
    Lopez-Mata, Ivan
    Laurel-Garcia, Pedro A.
    Duran-Vargas, Adrian
    Garcia-Hernandez, Enrique
    Sanchez-Cruz, Norberto
    Medina-Franco, Jose L.
    BIOMOLECULES, 2024, 14 (07)
  • [49] Generation and selection of novel estrogen receptor ligands using the de novo structure-based design tool, SkelGen
    Firth-Clark, S
    Willems, HMG
    Williams, A
    Harris, W
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2006, 46 (02) : 642 - 647
  • [50] Frag'r'Us: knowledge-based sampling of protein backbone conformations for de novo structure-based protein design
    Bonet, Jaume
    Segura, Joan
    Planas-Iglesias, Joan
    Oliva, Baldomero
    Fernandez-Fuentes, Narcis
    BIOINFORMATICS, 2014, 30 (13) : 1935 - 1936