Interaction of Methylene Blue with Severe Acute Respiratory Syndrome Coronavirus 2 Envelope Revealed by Molecular Modeling

被引:0
|
作者
Kovalenko, Ilya [1 ,2 ]
Kholina, Ekaterina [1 ]
Fedorov, Vladimir [1 ]
Khruschev, Sergei [1 ]
Vasyuchenko, Ekaterina [1 ]
Meerovich, Gennady [3 ,4 ]
Strakhovskaya, Marina [1 ]
机构
[1] Lomonosov Moscow State Univ, Fac Biol, Moscow 119234, Russia
[2] Pskov State Univ, Sci & Educ Math Ctr, Sofia Kovalevskaya Northwestern Ctr Math Res, Pskov 180000, Russia
[3] Russian Acad Sci, Prokhorov Gen Phys Inst, Moscow 119991, Russia
[4] Natl Res Nucl Univ MEPhI, Inst Phys & Engn Biomed, Moscow 115409, Russia
关键词
methylene blue; SARS-CoV-2; envelope; viral membrane; structural proteins; electrostatic interactions; Brownian dynamics; coarse grain modeling; PHOTODYNAMIC INACTIVATION; FORCE-FIELD; PROTEIN; PLASMA; VIRUS; DYNAMICS; THERAPY;
D O I
10.3390/ijms242115909
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Methylene blue has multiple antiviral properties against Severe Acute Respiratory Syndrome-related Coronavirus 2 (SARS-CoV-2). The ability of methylene blue to inhibit different stages of the virus life cycle, both in light-independent and photodynamic processes, is used in clinical practice. At the same time, the molecular aspects of the interactions of methylene blue with molecular components of coronaviruses are not fully understood. Here, we use Brownian dynamics to identify methylene blue binding sites on the SARS-CoV-2 envelope. The local lipid and protein composition of the coronavirus envelope plays a crucial role in the binding of this cationic dye. Viral structures targeted by methylene blue include the S and E proteins and negatively charged lipids. We compare the obtained results with known experimental data on the antiviral effects of methylene blue to elucidate the molecular basis of its activity against coronaviruses.
引用
收藏
页数:12
相关论文
共 50 条
  • [41] Severe acute respiratory syndrome (SARS) coronavirus
    Muller, Matthew P.
    McGeer, Allison
    SEMINARS IN RESPIRATORY AND CRITICAL CARE MEDICINE, 2007, 28 (02) : 201 - 212
  • [42] Replication of Severe Acute Respiratory Syndrome Coronavirus 2 in Human Respiratory Epithelium
    Milewska, Aleksandra
    Kula-Pacurar, Anna
    Wadas, Jakub
    Suder, Agnieszka
    Szczepanski, Artur
    Dabrowska, Agnieszka
    Owczarek, Katarzyna
    Marcello, Alessandro
    Ochman, Marek
    Stacel, Tomasz
    Rajfur, Zenon
    Sanak, Marek
    Labaj, Pawel
    Branicki, Wojciech
    Pyrc, G. Krzysztof
    JOURNAL OF VIROLOGY, 2020, 94 (15)
  • [43] Interaction of severe acute respiratory syndrome-associated coronavirus with dendritic cells
    Spiegel, Martin
    Schneider, Kerstin
    Weber, Friedemann
    Weidmann, Manfred
    Hufert, Frank T.
    JOURNAL OF GENERAL VIROLOGY, 2006, 87 : 1953 - 1960
  • [44] Molecular characterisation and tracking of severe acute respiratory syndrome coronavirus 2 in Thailand, 2020–2022
    Jiratchaya Puenpa
    Patthaya Rattanakomol
    Nutsada Saengdao
    Jira Chansaenroj
    Ritthideach Yorsaeng
    Kamol Suwannakarn
    Somchai Thanasitthichai
    Sompong Vongpunsawad
    Yong Poovorawan
    Archives of Virology, 2023, 168
  • [45] Severe hyperphosphatasemia and severe acute respiratory syndrome coronavirus 2 infection in children
    Tchidjou, Hyppolite Kuekou
    Caron, Fiorella
    Ferec, Adeline
    Braun, Karine
    Hery, Loic
    Castelain, Sandrine
    Romeo, Bernard
    BLOOD COAGULATION & FIBRINOLYSIS, 2020, 31 (08) : 575 - 577
  • [46] Severe Acute Respiratory Syndrome Coronavirus Envelope Protein Regulates Cell Stress Response and Apoptosis
    DeDiego, Marta L.
    Nieto-Torres, Jose L.
    Jimenez-Guardeno, Jose M.
    Regla-Nava, Jose A.
    Alvarez, Enrique
    Carlos Oliveros, Juan
    Zhao, Jincun
    Fett, Craig
    Perlman, Stanley
    Enjuanes, Luis
    PLOS PATHOGENS, 2011, 7 (10)
  • [47] Modeling the early events of severe acute respiratory syndrome coronavirus infection in vitro
    Yen, YT
    Liao, F
    Hsiao, CH
    Kao, CL
    Chen, YC
    Wu-Hsieh, BA
    JOURNAL OF VIROLOGY, 2006, 80 (06) : 2684 - 2693
  • [48] Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitors
    Hoffmann, Marcin
    Eitner, Krystian
    von Grotthuss, Marcin
    Rychlewski, Leszek
    Banachowicz, Ewa
    Grabarkiewicz, Tomasz
    Szkoda, Tomasz
    Kolinski, Andrzej
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2006, 20 (05) : 305 - 319
  • [49] Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitors
    Marcin Hoffmann
    Krystian Eitner
    Marcin von Grotthuss
    Leszek Rychlewski
    Ewa Banachowicz
    Tomasz Grabarkiewicz
    Tomasz Szkoda
    Andrzej Kolinski
    Journal of Computer-Aided Molecular Design, 2006, 20 : 305 - 319
  • [50] Acute Myocarditis After Severe Acute Respiratory Syndrome Coronavirus 2 Infection
    LaJoie, Joan
    Lentz, Brian
    JNP- THE JOURNAL FOR NURSE PRACTITIONERS, 2023, 19 (02):