Pharmacophore-based identification of novel hERG channel blockers of natural origin - Development of a virtual screening workflow and experimental validation

被引：0
|
作者：
Kratz, J. M. [1 ,2 ]
Edtbauer, M. [3 ,4 ]
Mair, C. E. [1 ]
Hering, S. [5 ]
Schuster, D. [3 ,4 ]
Rollinger, J. M. [1 ]
机构：
[1] Univ Innsbruck, Ctr Mol Biosci Innsbruck, Inst Pharm Pharmacognosy, A-6020 Innsbruck, Austria
[2] Univ Fed Santa Catarina, Dept Ciencias Farmaceut, Florianopolis, SC, Brazil
[3] Univ Innsbruck, Comp Aided Mol Design Grp, Inst Pharm Pharmaceut Chem, A-6020 Innsbruck, Austria
[4] Univ Innsbruck, Ctr Mol Biosci Innsbruck, A-6020 Innsbruck, Austria
[5] Univ Vienna, Dept Pharmacol & Toxicol, A-1010 Vienna, Austria
来源：
PLANTA MEDICA | 2013年 / 79卷 / 13期
关键词：
D O I：
暂无
中图分类号：
Q94 [植物学];
学科分类号：
071001 ;
摘要：
SL25
引用
收藏
页码：1113 / 1113
页数：1
相关论文
共 50 条
  • [21] Pharmacophore-Based Virtual Screening for Identification of Novel Neuraminidase Inhibitors and Verification of Inhibitory Activity by Molecular Docking
    Batool, Sidra
    Mushtaq, Gohar
    Kamal, Warda
    Kamal, Mohammad A.
    MEDICINAL CHEMISTRY, 2016, 12 (01) : 63 - 73
  • [22] Discovery of novel DPP IV inhibitors: application of pharmacophore-based virtual screening
    Sharma, Jyoti
    Yadav, Divya
    Paliwal, Sarvesh
    MEDICINAL CHEMISTRY RESEARCH, 2013, 22 (02) : 558 - 572
  • [23] Discovery of novel HCV polymerase inhibitors using pharmacophore-based virtual screening
    Kim, Nam Doo
    Chun, Haarin
    Park, Sang Jin
    Yang, Jae Won
    Kim, Jong Woo
    Ahn, Soon Kil
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2011, 21 (11) : 3329 - 3334
  • [24] Discovery of novel DPP IV inhibitors: application of pharmacophore-based virtual screening
    Jyoti Sharma
    Divya Yadav
    Sarvesh Paliwal
    Medicinal Chemistry Research, 2013, 22 : 558 - 572
  • [25] Pharmacophore-based screening for the successful identification of bio-active natural products
    Langer, Thierry
    Laggner, Christian
    Rollinger, Judith M.
    Stuppner, Hermann
    CHIMIA, 2007, 61 (06) : 350 - 354
  • [26] Identification of small-molecule urea derivatives as novel NAMPT inhibitors via pharmacophore-based virtual screening
    Ozgencil, Fikriye
    Eren, Gokcen
    Ozkan, Yesim
    Guntekin-Ergun, Sezen
    Cetin-Atalay, Rengul
    BIOORGANIC & MEDICINAL CHEMISTRY, 2020, 28 (01)
  • [27] Pharmacophore-based virtual screening, molecular docking, and molecular dynamics investigation for the identification of novel, marine aromatase inhibitors
    Kotb, Mohamed A.
    Abdelmawgood, Islam Ahmed
    Ibrahim, Ibrahim M.
    BMC CHEMISTRY, 2024, 18 (01)
  • [28] IDENTIFICATION OF CK2 INHIBITORS FROM NATURAL PRODUCTS USING PHARMACOPHORE-BASED VIRTUAL SCREENING AND MOLECULAR DOCKING
    Qi, X. Q.
    Zhang, N.
    Chen, W. J.
    Tang, S.
    Zhou, Y.
    BASIC & CLINICAL PHARMACOLOGY & TOXICOLOGY, 2017, 121 : 39 - 39
  • [29] Discovery of a Novel 5-HT2A Inhibitor by Pharmacophore-based Virtual Screening
    XIONG Zi-jun1
    2.State Key Laboratory for Drug Research
    3.Department of Pharmacology
    ChemicalResearchinChineseUniversities, 2011, 27 (04) : 655 - 660
  • [30] Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors
    Gallego-Yerga, Laura
    Ochoa, Rodrigo
    Lans, Isaias
    Pena-Varas, Carlos
    Alegria-Arcos, Melissa
    Cossio, Pilar
    Ramirez, David
    Pelaez, Rafael
    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2021, 19 : 4360 - 4372
12345