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
  • [11] The discovery of potential cyclin A/CDK2 inhibitors: a combination of 3D QSAR pharmacophore modeling, virtual screening, and molecular docking studies
    Ece, Abdulilah
    Sevin, Fatma
    MEDICINAL CHEMISTRY RESEARCH, 2013, 22 (12) : 5832 - 5843
  • [12] The discovery of potential cyclin A/CDK2 inhibitors: a combination of 3D QSAR pharmacophore modeling, virtual screening, and molecular docking studies
    Abdulilah Ece
    Fatma Sevin
    Medicinal Chemistry Research, 2013, 22 : 5832 - 5843
  • [13] 3D QSAR Pharmacophore Modeling for c-Met Kinase Inhibitors
    Huang, Dandan
    Zhu, Xiaoyun
    Tang, Chunlei
    Mei, Yicheng
    Chen, Wei
    Yang, Baowei
    Han, Jing
    Qian, Hai
    Huang, Wenlong
    MEDICINAL CHEMISTRY, 2012, 8 (06) : 1117 - 1125
  • [14] Pharmacophore modelling, docking and molecular dynamic simulation studies in the discovery of potential human renin inhibitors
    Halimi, Mohammad
    Hajipasha, Amirhossein
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2022, 116
  • [15] Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitors
    Singh, Kh. Dhanachandra
    Karthikeyan, Muthusamy
    Kirubakaran, Palani
    Nagamani, Selvaraman
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2011, 30 : 186 - 197
  • [16] 3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B
    Ma, Ying
    Li, Hong-Lian
    Chen, Xiu-Bo
    Jin, Wen-Yan
    Zhou, Hui
    Ma, Ying
    Wang, Run-Ling
    COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 73 : 1 - 12
  • [17] 3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors
    Lindvall, Mika
    McBride, Christopher
    McKenna, Maureen
    Gesner, Thomas G.
    Yabannavar, Asha
    Wong, Kent
    Lin, Song
    Walter, Annette
    Shafer, Cynthia M.
    ACS MEDICINAL CHEMISTRY LETTERS, 2011, 2 (10): : 720 - 723
  • [18] Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening
    Lu, Xiao-Yun
    Chen, Ya-Dong
    Jiang, Yong-Jun
    You, Qi-Dong
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009, 44 (09) : 3718 - 3730
  • [19] 3D QSAR, docking studies, and pharmacophore modeling of selected factor Xa inhibitors
    Choudhari, P. B.
    Bhatia, M. S.
    MEDICINAL CHEMISTRY RESEARCH, 2012, 21 (07) : 1427 - 1432
  • [20] 3D QSAR and Pharmacophore Modelling of Selected Benzimidazole Derivatives as Factor IXa Inhibitors
    Kumbhar, S. S.
    Choudhari, P. B.
    Bhatia, M. S.
    INDIAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2017, 79 (05) : 813 - 819
12345