Molecular dynamics and structure-based virtual screening and identification of natural compounds as Wnt signaling modulators: possible therapeutics for Alzheimer’s disease

被引：0
|
作者：
Suman Manandhar
Runali Sankhe
Keerthi Priya
Gangadhar Hari
Harish Kumar B.
Chetan H. Mehta
Usha Y. Nayak
K. Sreedhara Ranganath Pai
机构：
[1] Manipal Academy of Higher Education,Department of Pharmacology, Manipal College of Pharmaceutical Sciences
[2] Manipal Academy of Higher Education,Department of Pharmaceutics, Manipal College of Pharmaceutical Sciences
来源：
Molecular Diversity | 2022年 / 26卷
关键词：
Alzheimer’s disease; Wnt signaling; DKK1; LRP6; WIF1; Virtual screening; Molecular dynamics;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：2793 / 2811
页数：18
相关论文
共 50 条
  • [1] Molecular dynamics and structure-based virtual screening and identification of natural compounds as Wnt signaling modulators: possible therapeutics for Alzheimer's disease
    Manandhar, Suman
    Sankhe, Runali
    Priya, Keerthi
    Hari, Gangadhar
    Kumar, Harish B.
    Mehta, Chetan H.
    Nayak, Usha Y.
    Pai, K. Sreedhara Ranganath
    [J]. MOLECULAR DIVERSITY, 2022, 26 (05) : 2793 - 2811
  • [2] Identification of potential flavonoid compounds as antibacterial therapeutics against Klebsiella pneumoniae infection using structure-based virtual screening and molecular dynamics simulation
    Dey, Jyotirmayee
    Mahapatra, Soumya Ranjan
    Raj, T. Kiran
    Misra, Namrata
    Suar, Mrutyunjay
    [J]. MOLECULAR DIVERSITY, 2023,
  • [3] Discovery of natural estrogen receptor modulators with structure-based virtual screening
    Cao, Xianwen
    Jiang, Jing
    Zhang, Shoude
    Zhu, Lili
    Zou, Juan
    Diao, Yanyan
    Xiao, Weilie
    Shan, Lei
    Sun, Handong
    Zhang, Weidong
    Huang, Jin
    Li, Honglin
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 23 (11) : 3329 - 3333
  • [4] Structure-based virtual screening of natural compounds as inhibitors of HCV using molecular docking and molecular dynamics simulation studies
    Sabei, Fahad Y.
    Y. Safhi, Awaji
    Almoshari, Yosif
    Salawi, Ahmad
    H. Sultan, Muhammad
    Ali Bakkari, Mohammed
    Alsalhi, Abdullah
    A. Madkhali, Osama
    M. Jali, Abdulmajeed
    Ahsan, Waquar
    [J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023,
  • [5] Structure-Based Virtual Screening, ADMET analysis, and Molecular Dynamics Simulation of Moroccan Natural Compounds as Candidates α-Amylase Inhibitors
    Abchir, Oussama
    Yamari, Imane
    Nour, Hassan
    Daoui, Ossama
    Elkhattabi, Souad
    Errougui, Abdelkbir
    Chtita, Samir
    [J]. CHEMISTRYSELECT, 2023, 8 (26):
  • [6] Targeting Glutaminase by Natural Compounds: Structure-Based Virtual Screening and Molecular Dynamics Simulation Approach to Suppress Cancer Progression
    Tabrez, Shams
    Zughaibi, Torki A.
    Hoque, Mehboob
    Suhail, Mohd
    Khan, Mohammad Imran
    Khan, Azhar U.
    [J]. MOLECULES, 2022, 27 (15):
  • [7] Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer's disease
    Devi, Bharti
    Jangid, Kailash
    Kumar, Naveen
    Kumar, Vinay
    Kumar, Vinod
    [J]. MOLECULAR DIVERSITY, 2024,
  • [8] Molecular dynamics to enhance structure-based virtual screening on cathepsin B
    Ogrizek, Mitja
    Turk, Samo
    Lesnik, Samo
    Sosic, Izidor
    Hodoscek, Milan
    Mirkovic, Bojana
    Kos, Janko
    Janezic, Dusanka
    Gobec, Stanislav
    Konc, Janez
    [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2015, 29 (08) : 707 - 712
  • [9] Identification of potentialLeishmania chagasisuperoxide dismutase allosteric modulators by structure-based computational approaches: homology modelling, molecular dynamics and pharmacophore-based virtual screening
    de Souza, Bruno Cruz
    Lacerda, Pedro Sousa
    da Rocha Pita, Samuel Silva
    Kato, Rodrigo Bentes
    Andrade Leite, Franco Henrique
    [J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2021, 39 (18): : 7000 - 7016
  • [10] Molecular dynamics to enhance structure-based virtual screening on cathepsin B
    Mitja Ogrizek
    Samo Turk
    Samo Lešnik
    Izidor Sosič
    Milan Hodošček
    Bojana Mirković
    Janko Kos
    Dušanka Janežič
    Stanislav Gobec
    Janez Konc
    [J]. Journal of Computer-Aided Molecular Design, 2015, 29 : 707 - 712
12345