Editorial: Computational chemogenomics: In silico tools in pharmacological research and drug discovery

被引:0
|
作者
Sanchez-Cruz, Norberto [1 ,2 ]
Fernandez-de Gortari, Eli [3 ]
Medina-Franco, Jose L. [4 ]
机构
[1] Univ Nacl Autonoma Mexico, Inst Quim, Unidad Merida, Ucu, Mexico
[2] Univ Nacl Autonoma Mexico, Inst Invest Matemat Aplicadas & Sistemas, Unidad Acad Estado Yucatan, Merida, Mexico
[3] Int Iberian Nanotechnol Lab INL, Braga, Portugal
[4] Univ Nacl Autonoma Mexico, Sch Chem, Dept Pharm, DIFACQUIM Res Grp, Mexico City, Mexico
关键词
cheminformatics; computational chemistry; molecular dynamics; artificial intelligence; machine learning; molecular docking; virtual screening; toxicology;
D O I
10.3389/fphar.2023.1150869
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
引用
收藏
页数:2
相关论文
共 50 条
  • [41] Chemogenomics: structuring the drug discovery process to gene families
    Harris, C. John
    Stevens, Adrian P.
    [J]. DRUG DISCOVERY TODAY, 2006, 11 (19-20) : 880 - 888
  • [42] Semantic inference using chemogenomics data for drug discovery
    Qian Zhu
    Yuyin Sun
    Sashikiran Challa
    Ying Ding
    Michael S Lajiness
    David J Wild
    [J]. BMC Bioinformatics, 12
  • [43] NERDD: a web portal providing access to in silico tools for drug discovery
    Stork, Conrad
    Embruch, Gerd
    Sicho, Martin
    Kops, Christina de Bruyn
    Chen, Ya
    Svozil, Daniel
    Kirchmair, Johannes
    [J]. BIOINFORMATICS, 2020, 36 (04) : 1291 - 1292
  • [44] In silico predictive tools for screening hERG activity in early drug discovery
    Gavaghan, Claire
    Belda, Ignasi
    Carlsson, Lars
    Donner, Henrik
    Boyer, Scott
    [J]. CHEMICAL RESEARCH IN TOXICOLOGY, 2007, 20 (12) : 2018 - 2018
  • [45] In silico predictive tools for screening hERG activity in early drug discovery
    Gavaghan, Claire
    Belda, Ignasi
    Carlsson, Lars
    Donner, Henrik
    Boyer, Scott
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234
  • [46] Moving Beyond in Silico Tools to In Silico Science in Support of Drug Development Research
    Hunt, C. Anthony
    Ropella, Glen E. P.
    [J]. DRUG DEVELOPMENT RESEARCH, 2011, 72 (02) : 153 - 161
  • [47] Drug Repurposing for Paracoccidioidomycosis Through a Computational Chemogenomics Framework
    de Oliveira, Amanda Alves
    Neves, Bruno Junior
    Silva, Livia do Carmo
    de Almeida Soares, Celia Maria
    Andrade, Carolina Horta
    Pereira, Maristela
    [J]. FRONTIERS IN MICROBIOLOGY, 2019, 10
  • [48] New Experimental and Computational Tools for Drug Discovery: Part - XI
    Gonzalez-Diaz, Humberto
    [J]. CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2021, 21 (07) : 597 - 598
  • [49] Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery
    Ekins, Sean
    Freundlich, Joel S.
    Choi, Inhee
    Sarker, Malabika
    Talcott, Carolyn
    [J]. TRENDS IN MICROBIOLOGY, 2011, 19 (02) : 65 - 74
  • [50] Chemogenomics-assisted anti-obesity drug discovery
    Hajjo, Rima
    Tropsha, Alexander
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250