In Silico Drug Design and Discovery: Big Data for Small Molecule Design

被引：1
|
作者：
Cerchia, Carmen [1 ]
Lavecchia, Antonio [1 ]
机构：
[1] Univ Naples Federico II, Dept Pharm, Drug Discovery Lab, I-80131 Naples, Italy
来源：
BIOMOLECULES | 2023年 / 13卷 / 01期
关键词：
D O I：
10.3390/biom13010044
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
引用
收藏
页数：3
相关论文
共 50 条
  • [21] Discovery of Novel STAT3 Small Molecule Inhibitors via in Silico Site-Directed Fragment-Based Drug Design
    Yu, Wenying
    Xiao, Hui
    Lin, Jiayuh
    Li, Chenglong
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2013, 56 (11) : 4402 - 4412
  • [22] In Silico Drug Design
    Afshar, Mohammad
    [J]. INFECTION GENETICS AND EVOLUTION, 2009, 9 (03) : 370 - 370
  • [23] Neural Network Potentials for Enabling Advanced Small-Molecule Drug Discovery and Generative Design
    Barnett, Simon
    Chodera, John D.
    [J]. GEN BIOTECHNOLOGY, 2024, 3 (03): : 119 - 129
  • [24] Small and Supramolecular Chemistry in Drug Design, Drug Discovery and Drug Delivery
    Madan, Jitender
    Bhatia, Richa Kaur
    [J]. CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2017, 17 (02) : 95 - 95
  • [25] Generative artificial intelligence for small molecule drug design
    Kanakala, Ganesh Chandan
    Devata, Sriram
    Chatterjee, Prathit
    Priyakumar, Udaykumar Deva
    [J]. CURRENT OPINION IN BIOTECHNOLOGY, 2024, 89
  • [26] Advancements in small molecule drug design: A structural perspective
    Wu, Ke
    Karapetyan, Eduard
    Schloss, John
    Vadgama, Jaydutt
    Wu, Yong
    [J]. DRUG DISCOVERY TODAY, 2023, 28 (10)
  • [27] A Prospective Method To Guide Small Molecule Drug Design
    Johnson, Alan T.
    [J]. JOURNAL OF CHEMICAL EDUCATION, 2015, 92 (05) : 836 - 842
  • [28] Extending 'predict first' to the design-make-test cycle in small-molecule drug discovery
    Harrison, Scott
    Lahue, Brian
    Peng, Zhengwei
    Donofrio, Anthony
    Chang, Charlie
    Glick, Meir
    [J]. FUTURE MEDICINAL CHEMISTRY, 2017, 9 (06) : 533 - 536
  • [29] HARNESSING SMALL MOLECULE BIG DATA AND INTESTINAL ORGANOID-BASED FUNCTIONAL SCREENING FOR CYSTIC FIBROSIS DRUG DISCOVERY
    Wang, Y.
    Arora, K.
    Yang, F.
    Chen, J.
    Naren, A.
    Jegga, A.
    [J]. PEDIATRIC PULMONOLOGY, 2017, 52 : S299 - S300
  • [30] Using small molecule crystal structure data to improve drug discovery
    Sanschagrin, Paul C.
    [J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2018, 74 : A4 - A4
12345