Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors

被引：0
|
作者：
Shalini John
Sundarapandian Thangapandian
Mahreen Arooj
Jong Chan Hong
Kwang Dong Kim
Keun Woo Lee
机构：
[1] Gyeongsang National University (GNU),Division of Applied Life Science (BK21 Program), Systems and Synthetic Agrobiotech Center (SSAC), Research Institute of Natural Science(RINS), Plant Molecular Biology and Biotechnology Research Center (PMBBRC)
来源：
BMC Bioinformatics | / 12卷
关键词：
High Occupied Molecular Orbital; Lower Unoccupied Molecular Orbital; Root Mean Square Deviation; Aliskiren; Pharmacophore Model;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [21] 3D QSAR analyses of novel tyrosine kinase inhibitors based on pharmacophore alignment
    Zhu, LL
    Hou, TJ
    Chen, LR
    Xu, XJ
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2001, 41 (04): : 1032 - 1040
  • [22] 3D QSAR, docking studies, and pharmacophore modeling of selected factor Xa inhibitors
    P. B. Choudhari
    M. S. Bhatia
    Medicinal Chemistry Research, 2012, 21 : 1427 - 1432
  • [23] Discovery of novel DGAT1 inhibitors by combination of machine learning methods, pharmacophore model and 3D-QSAR model
    Zhang, Hui
    Shen, Chen
    Zhang, Hong-Rui
    Chen, Wen-Xuan
    Luo, Qing-Qing
    Ding, Lan
    MOLECULAR DIVERSITY, 2021, 25 (03) : 1481 - 1495
  • [24] Discovery of novel DGAT1 inhibitors by combination of machine learning methods, pharmacophore model and 3D-QSAR model
    Hui Zhang
    Chen Shen
    Hong-Rui Zhang
    Wen-Xuan Chen
    Qing-Qing Luo
    Lan Ding
    Molecular Diversity, 2021, 25 : 1481 - 1495
  • [25] Azolium analogues as CDK4 inhibitors: Pharmacophore modeling, 3D QSAR study and new lead drug discovery
    Rondla, Rohini
    Rao, Lavanya Souda Padma
    Ramatenki, Vishwanath
    Vadija, Rajender
    Mukkera, Thirupathi
    Potlapally, Santa Rajender
    Vuruputuri, Uma
    JOURNAL OF MOLECULAR STRUCTURE, 2017, 1134 : 482 - 491
  • [26] 3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors
    Sakkiah, Sugunadevi
    Thangapandian, Sundarapandian
    John, Shalini
    Kwon, Yong Jung
    Lee, Keun Woo
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (06) : 2132 - 2140
  • [27] Discovery of FIXa inhibitors by combination of pharmacophore modeling, molecular docking, and 3D-QSAR modeling
    Li, Penghua
    Peng, Jiale
    Zhou, Yeheng
    Li, Yaping
    Liu, XingYong
    Wang, LiangLiang
    Zuo, ZhiLi
    JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 2018, 38 (03) : 213 - 224
  • [28] Atom-based QSAR and 3D QSAR using pharmacophore based alignment for discovery of nimesulide-derived SKBR-3 cell line inhibitors
    Das Choudhury, Arpita
    MEDICINAL CHEMISTRY RESEARCH, 2015, 24 (03) : 999 - 1012
  • [29] Atom-based QSAR and 3D QSAR using pharmacophore based alignment for discovery of nimesulide-derived SKBR-3 cell line inhibitors
    Arpita Das Choudhury
    Medicinal Chemistry Research, 2015, 24 : 999 - 1012
  • [30] Identification of potential indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors by an FBG-based 3D QSAR pharmacophore model
    Zhang, Lu
    Lai, Fangfang
    Chen, Xiaoguang
    Xiao, Zhiyan
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2020, 99
12345