Novel 11β-HSD1 Inhibitors Identified through Structure-Based Pharmacophore Modeling and Shape-Based Virtual Screening

被引:0
|
作者
Lagos, Carlos F. [1 ]
Vecchiola, Andrea [1 ]
Fuentes, Cristobal A. [1 ]
Allende, Fidel [1 ]
Tapia-Castillo, Alejandra [1 ]
Valdivia, Carolina [1 ]
Solari, Sandra [1 ]
Baudrand, Rene [1 ]
Owen, Gareth Ivor [1 ]
Cifuentes, Mariana [2 ]
Carvajal, Cristian A. [1 ]
Fardella, Carlos E. [1 ]
机构
[1] Pontificia Univ Catolica Chile, Santiago, Chile
[2] Univ Chile, Santiago, Chile
关键词
D O I
暂无
中图分类号
R5 [内科学];
学科分类号
1002 ; 100201 ;
摘要
MON-0811
引用
收藏
页数:2
相关论文
共 50 条
  • [41] Structure-based virtual screening discovers novel PKMYT1 inhibitors
    Zhang, Haoyu
    Yu, Jinyu
    Yang, Ziheng
    Guo, Zhiqiang
    Liu, Rui
    Qin, Qiaohua
    Sun, Yixiang
    Liu, Nian
    Gao, Zixuan
    Zhao, Dongmei
    Cheng, Maosheng
    RSC MEDICINAL CHEMISTRY, 2024, 15 (09): : 3114 - 3124
  • [42] Discovery of Novel Biased Opioid Receptor Ligands through Structure-Based Pharmacophore Virtual Screening and Experiment
    Jeong, Pyeonghwa
    Kim, Soo-Kyung
    Li, Quanjie
    Oh, Su-jin
    Son, Seonil
    Chen, Guangju
    Tan, Hongwei
    Kim, Siwon
    Park, Jong-Hyun
    Park, Ki Duk
    Kim, Yeo Ok
    Yoon, Myung Ha
    Kim, Yong-Chul
    Goddard, William A., III
    CHEMMEDCHEM, 2019, 14 (20) : 1783 - 1794
  • [43] Discovery of Novel NAMPT Inhibitors Based on Pharmacophore Modeling and Virtual Screening Techniques
    Yi, Qianying
    Zhou, Lu
    Shao, Xin
    Wang, Taijin
    Bao, Guangkai
    Shi, Huanhuan
    Zhou, Suwen
    Li, Xiaoli
    Tian, Yahui
    COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2014, 17 (10) : 868 - 878
  • [44] Discovery, biological evaluation and molecular dynamic simulations of butyrylcholinesterase inhibitors through structure-based pharmacophore virtual screening
    Lu, Tao
    Liu, Yi
    Liu, Yan
    Chen, Hao
    Han, Chengang
    Feng, Xiaoye
    Zhou, Hui
    Li, Yanfang
    FUTURE MEDICINAL CHEMISTRY, 2021, 13 (09) : 769 - 784
  • [45] Acetylcholinesterase Inhibitors: Structure Based Design, Synthesis, Pharmacophore Modeling, and Virtual Screening
    Valasani, Koteswara Rao
    Chaney, Michael O.
    Day, Victor W.
    Yan, Shirley ShiDu
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 53 (08) : 2033 - 2046
  • [46] Structure-Based Virtual Screening of Pseudomonas aeruginosa LpxA Inhibitors using Pharmacophore-Based Approach
    Bhaskar, Baki Vijaya
    Babu, Tirumalasetty Muni Chandra
    Rammohan, Aluru
    Zheng, Gui Yu
    Zyryanov, Grigory, V
    Gu, Wei
    BIOMOLECULES, 2020, 10 (02)
  • [47] Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening
    Cruz, Josiane V.
    Neto, Moyses F. A.
    Silva, Luciane B.
    Ramos, Ryan da S.
    Costa, Josivan da S.
    Brasil, Davi S. B.
    Lobato, Cleison C.
    da Costa, Glauber V.
    Bittencourt, Jose Adolfo H. M.
    da Silva, Carlos H. T. P.
    Leite, Franco H. A.
    Santos, Cleydson B. R.
    MOLECULES, 2018, 23 (02):
  • [48] Identifying the novel inhibitors of lysine-specific demethylase 1 (LSD1) combining pharmacophore-based and structure-based virtual screening
    Sun, Xu-Dong
    Zheng, Yi-Chao
    Ma, Chao-Ya
    Yang, Jing
    Gao, Qi-Bing
    Yan, Ying
    Wang, Zhi-Zheng
    Li, Wen
    Zhao, Wen
    Liu, Hong-Min
    Ding, Lina
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 37 (16): : 4200 - 4214
  • [49] Synthesis of selective 11β-HSD1 inhibitors based on dammarane scaffold
    Shao, Li-Dong
    Bao, Ying
    Shen, Yu
    Su, Jia
    Leng, Ying
    Zhao, Qin-Shi
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2017, 135 : 324 - 338
  • [50] Identification of novel metallo-β-lactamases inhibitors using ligand-based pharmacophore modelling and structure-based virtual screening
    Ezati, Mohammad
    Ahmadi, Ali
    Behmard, Esmaeil
    Najafi, Ali
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023,