Pyridine Derivatives as Potential Inhibitors for Coronavirus SARS-CoV-2: A Molecular Docking Study

被引:2
|
作者
Karthick, Kamaraj [1 ]
Swarnalatha, Kalaiyar [1 ]
机构
[1] Manonmaniam Sundaranar Univ, Dept Chem, Photochem Res Lab, Tirunelveli 627012, Tamil Nadu, India
来源
关键词
Coronavirus SARS-CoV-2; pyridine derivatives; molecular docking; SPIKE;
D O I
10.1177/11779322221146651
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Coronavirus SARS-CoV-2, a causative agent for the global epidemic disease COVID-19, which has a highest modality rate. Several initiatives have been undertaken to repurpose current antiviral medications and tested the classic pyridine derivatives (PyDev), which have showed substantial therapeutic potential against a variety of illnesses and also have several biological functions such as, antibacterial, antiviral, and anti-inflammatory. However, limited reports are available for the treatment of Coronavirus SARS-CoV-2 using PyDev. Hence, the possibilities of the best-described PyDev molecules of powerful Coronavirus SARS-CoV-2 inhibitors have been attempted in this investigation. This study primarily focused on blocking four key targets of Coronavirus SARS-CoV-2 proteins. Terpyridine has shown the greatest inhibitory potential (with a binding energy of -8.8 kcal/mol) against all four coronavirus targets. This study results would pave the potential lead medication for Coronavirus SARS-CoV-2 therapeutic strategies.
引用
收藏
页数:10
相关论文
共 50 条
  • [31] Synthetic Coumarin Derivatives as SARS-CoV-2 Major Protease Inhibitors: Design, Synthesis, Bioevaluation and Molecular Docking
    Mohamed, Nada M.
    Eltelbany, Rania F. A.
    CHEMISTRYSELECT, 2021, 6 (47): : 13616 - 13626
  • [32] Drug repurposing for identification of potential spike inhibitors for SARS-CoV-2 using molecular docking and molecular dynamics simulations
    Lazniewski, Michal
    Dermawan, Doni
    Hidayat, Syahrul
    Muchtaridi, Muchtaridi
    Dawson, Wayne K.
    Plewczynski, Dariusz
    METHODS, 2022, 203 : 498 - 510
  • [33] Potential activity of Linezolid against SARS-CoV-2 using electronic and molecular docking study
    Nelson H. Morgon
    Giulia S. Grandini
    Maurício I. Yoguim
    Caio M. Porto
    Lucas C. Santana
    Srijit Biswas
    Aguinaldo R. de Souza
    Journal of Molecular Modeling, 2021, 27
  • [34] Potential activity of Linezolid against SARS-CoV-2 using electronic and molecular docking study
    Morgon, Nelson H.
    Grandini, Giulia S.
    Yoguim, Mauricio I.
    Porto, Caio M.
    Santana, Lucas C.
    Biswas, Srijit
    de Souza, Aguinaldo R.
    JOURNAL OF MOLECULAR MODELING, 2021, 27 (08)
  • [35] Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites
    Kawsar, Sarkar M. A.
    Hosen, Mohammed A.
    Ahmad, Sajjad
    El Bakri, Youness
    Laaroussi, Hamid
    Ben Hadda, Taibi
    Almalki, Faisal A.
    Ozeki, Yasuhiro
    Goumri-Said, Souraya
    PLOS ONE, 2022, 17 (11):
  • [36] Identification of Potential Inhibitors of SARS-CoV-2 Main Protease from Allium roseum L. Molecular Docking Study
    Benhander, Gazala Mohamed
    Abdusalam, Ashraf Ahmed Ali
    CHEMISTRY AFRICA-A JOURNAL OF THE TUNISIAN CHEMICAL SOCIETY, 2022, 5 (01): : 57 - 67
  • [37] Identification of Potential Inhibitors of SARS-CoV-2 Main Protease from Allium roseum L. Molecular Docking Study
    Gazala Mohamed Benhander
    Ashraf Ahmed Ali Abdusalam
    Chemistry Africa, 2022, 5 : 57 - 67
  • [38] Virtual Screening of Repurposed Drugs as Potential Spike Protein Inhibitors of Different SARS-CoV-2 Variants: Molecular Docking Study
    Eweas, Ahmad F.
    Osman, Hosam-Eldin H.
    Naguib, Ibrahim A.
    Abourehab, Mohammed A. S.
    Abdel-Moneim, Ahmed S.
    CURRENT ISSUES IN MOLECULAR BIOLOGY, 2022, 44 (07) : 3018 - 3029
  • [39] Virtual Screening and Molecular Design of Potential SARS-COV-2 Inhibitors
    Tinkov, O., V
    Grigorev, V. Yu
    Grigoreva, L. D.
    MOSCOW UNIVERSITY CHEMISTRY BULLETIN, 2021, 76 (02) : 95 - 113
  • [40] 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):