Molecular docking and dynamic simulations of Cefixime, Etoposide and Nebrodenside A against the pathogenic proteins of SARS-CoV-2

被引:0
|
作者
Rashid, Haroon ur [1 ]
Ahmad, Nasir [2 ]
Abdalla, Mohnad [3 ]
Khan, Khalid [2 ]
Martines, Marco Antonio Utrera [1 ]
Shabana, Samah [4 ]
机构
[1] Institute of Chemistry, Federal University of Mato Grosso do Sul, Campo Grande,MS,79074-460, Brazil
[2] Department of Chemistry, Islamia College University, Peshawar,Khyber Pakhtunkhwa, Pakistan
[3] Key Laboratory of Chemical Biology (Ministry of Education), Department of Pharmaceutics, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 Cultural West Road, Shandong Province,250012, China
[4] Department of Biochemistry and Molecular Biology, College of Marine Life Sciences, Ocean University of China, Qingdao,266003, China
关键词
28;
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
  • [1] Molecular docking and dynamic simulations of Cefixime, Etoposide and Nebrodenside A against the pathogenic proteins of SARS-CoV-2
    Rashid, Haroon Ur
    Ahmad, Nasir
    Abdalla, Mohnad
    Khan, Khalid
    Martines, Marco Antonio Utrera
    Shabana, Samah
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 2022, 1247
  • [2] Molecular docking and dynamic simulations of some medicinal plants compounds against SARS-CoV-2: an in silico study
    Adejoro, Isaiah A.
    Babatunde, Damilare D.
    Tolufashe, Gideon F.
    [J]. JOURNAL OF TAIBAH UNIVERSITY FOR SCIENCE, 2020, 14 (01): : 1563 - 1570
  • [3] In Silico molecular docking and dynamic analysis of natural compounds against major non-structural proteins of SARS-COV-2
    Rehman, Muneeb U.
    Ali, Aarif
    Ansar, Ruhban
    Arafah, Azher
    Imtiyaz, Zuha
    Wani, Tanveer A.
    Zargar, Seema
    Ganie, Showkat A.
    [J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 41 (18): : 9072 - 9088
  • [4] In silico molecular docking analysis for repurposing therapeutics against multiple proteins from SARS-CoV-2
    Deshpande, Rujuta R.
    Tiwari, Arpita Pandey
    Nyayanit, Narendra
    Modak, Manisha
    [J]. EUROPEAN JOURNAL OF PHARMACOLOGY, 2020, 886
  • [5] Some Flavolignans as Potent Sars-Cov-2 Inhibitors via Molecular Docking, Molecular Dynamic Simulations and ADME Analysis
    Cetin, Adnan
    [J]. CURRENT COMPUTER-AIDED DRUG DESIGN, 2022, 18 (05) : 337 - 346
  • [6] Identification of potential phytochemicals from Citrus Limon against main protease of SARS-CoV-2: molecular docking, molecular dynamic simulations and quantum computations
    Khan, Jishan
    Sakib, Shahenur Alam
    Mahmud, Shafi
    Khan, Zidan
    Islam, Mohammad Nazmul
    Sakib, Mahfuz Ahmed
    Bin Emran, Talha
    Simal-Gandara, Jesus
    [J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (21): : 10741 - 10752
  • [7] Molecular docking studies on the phytoconstituents as therapeutic leads against SARS-CoV-2
    Tiwari, Abhishek
    Tiwari, Varsha
    Verma, Navneet
    Singh, Anita
    Kumar, Manish
    Saini, Vipin
    Sahoo, Biswa Mohan
    Kaushik, Deepak
    Verma, Ravinder
    Sagadevan, Suresh
    [J]. POLIMERY, 2022, 67 (7-8) : 355 - 374
  • [8] SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein
    Salamat, Aqsa
    Kosar, Naveen
    Mohyuddin, Ayesha
    Imran, Muhammad
    Zahid, Muhammad Nauman
    Mahmood, Tariq
    [J]. MOLECULES, 2024, 29 (05):
  • [9] Molecular Docking in silico Analysis of Brazilian Essential Oils Against Host Targets and SARS-CoV-2 Proteins
    Costa, Remullo B. G. M.
    Martins, Regildo M. G.
    de Lima, Gerlane S.
    Stamford, Thayza C. M.
    Tadei, Wanderli P.
    Maciel, Maria Aparecida M.
    do Rego, Amalia C. M.
    Xavier-Junior, Francisco H.
    [J]. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2022, 33 (10) : 1219 - 1235
  • [10] In search of RdRp and Mpro inhibitors against SARS CoV-2: Molecular docking, molecular dynamic simulations and ADMET analysis
    Gajjar, Normi D.
    Dhameliya, Tejas M.
    Shah, Gaurang B.
    [J]. Journal of Molecular Structure, 2021, 1239