Evaluation of therapeutic potentials of some bioactive compounds in selected African plants targeting main protease (Mpro) in SARS-CoV-2: a molecular docking study

被引:0
|
作者
Ishola Abeeb Akinwumi
Barakat Olamide Ishola
Oluwatosin Maryam Adeyemo
Adefolarin Phebean Owojuyigbe
机构
[1] University of Strasbourg,Faculty of Chemistry
[2] Federal University of Technology,Department of Biomedical Technology, School of Basic Medical Sciences
[3] Ladoke Akintola University of Technology,Department of Biochemistry, Faculty of Basic Medical Sciences
[4] Federal University of Technology,Department of Chemistry, School of Physical Sciences
来源
Egyptian Journal of Medical Human Genetics | / 24卷
关键词
SARS-CoV-2; Main protease; Molecular docking;
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
  • [31] Identification of musk compounds as inhibitors of the main SARS-CoV-2 protease by molecular docking and molecular dynamics studies
    Belhassan, Assia
    Salgado, Guillermo
    Mendoza-Huizar, Luis humberto
    Zaki, Hanane
    Chtita, Samir
    Lakhlifi, Tahar
    Bouachrine, Mohammed
    Candia, Lorena gerli
    Cardona, Wilson
    JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, 2024, 89 (11) : 1447 - 1460
  • [32] Amentoflavone derivatives against SARS-CoV-2 main protease (MPRO): An in silico study
    Hossain, Rajib
    Mahmud, Shafi
    Khalipha, Abul Bashar Ripon
    Saikat, Abu Saim Mohammad
    Dey, Dipta
    Khan, Rasel Ahmed
    Rauf, Abdur
    Wadood, Abdul
    Rafique, Humaria
    Bawazeer, Sami
    Khalil, Anees Ahmed
    Almarhoon, Zainab M.
    Mabkhot, Yahia N.
    Alzahrani, Khalid J.
    Islam, Muhammad Torequl
    Alsharif, Khalaf F.
    Khan, Haroon
    MAIN GROUP CHEMISTRY, 2023, 22 (02) : 313 - 327
  • [33] Molecular Docking Unveils Prospective Inhibitors for the SARS-COV-2 Main Protease
    Ahmad, Fawad
    Ikram, Saima
    Ahmad, Jamshaid
    Rehman, Irshad Ur
    Khattak, Saeed Ullah
    Butt, Sadia
    Mushtaq, Maryam
    SAINS MALAYSIANA, 2021, 50 (05): : 1473 - 1484
  • [34] Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations
    Chirag N. Patel
    Siddhi P. Jani
    Dharmesh G. Jaiswal
    Sivakumar Prasanth Kumar
    Naman Mangukia
    Robin M. Parmar
    Rakesh M. Rawal
    Himanshu A. Pandya
    Scientific Reports, 11
  • [35] Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies
    Cherrak, Sabri Ahmed
    Merzouk, Hafida
    Mokhtari-Soulimane, Nassima
    PLOS ONE, 2020, 15 (10):
  • [36] Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations
    Patel, Chirag N.
    Jani, Siddhi P.
    Jaiswal, Dharmesh G.
    Kumar, Sivakumar Prasanth
    Mangukia, Naman
    Parmar, Robin M.
    Rawal, Rakesh M.
    Pandya, Himanshu A.
    SCIENTIFIC REPORTS, 2021, 11 (01)
  • [37] Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study
    Mahmud, Shafi
    Biswas, Suvro
    Paul, Gobindo Kumar
    Mita, Mohasana Akter
    Afrose, Shamima
    Hasan, Md Robiul
    Shimu, Mst Sharmin Sultana
    Uddin, Mohammad Abu Raihan
    Uddin, Md Salah
    Zaman, Shahriar
    Kibria, K. M. Kaderi
    Khan, Md Arif
    Bin Emran, Talha
    Abu Saleh, Md
    ARABIAN JOURNAL OF CHEMISTRY, 2021, 14 (09)
  • [38] Interaction of the renin inhibitor aliskiren with the SARS-CoV-2 main protease: a molecular docking study
    Vergoten, Erard
    Bailly, Christian
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (23): : 12714 - 12722
  • [39] Identification of potential inhibitors of SARS-CoV-2 main protease from Aloe vera compounds: A molecular docking study
    Mpiana, Pius T.
    Ngbolua, Koto-te-Nyiwa
    Tshibangu, Damien S. T.
    Kilembe, Jason T.
    Gbolo, Benjamin Z.
    Mwanangombo, Domaine T.
    Inkoto, Clement L.
    Lengbiye, Emmanuel M.
    Mbadiko, Clement M.
    Matondo, Aristote
    Bongo, Gedeon N.
    Tshilanda, Dorothee D.
    CHEMICAL PHYSICS LETTERS, 2020, 754
  • [40] In Silico Study of Selected Natural Products as SARS-CoV-2 MPro Binder: Molecular Docking and Molecular Dynamics Simulation
    Bencheikh, Bochra
    Cheriet, Mouna
    Djemil, Rayenne
    Khatmi, Djameleddine
    POLYCYCLIC AROMATIC COMPOUNDS, 2023, 43 (06) : 5103 - 5115