scholarly journals Multiscale Simulations of SARS-CoV-2 3CL Protease Inhibition with Aldehyde Derivatives. Role of Protein and Inhibitor Conformational Changes in the Reaction Mechanism

ACS Catalysis ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 4157-4168 ◽  
Author(s):  
Carlos A. Ramos-Guzmán ◽  
J. Javier Ruiz-Pernía ◽  
Iñaki Tuñón
Author(s):  
Hideo Hayashi ◽  
Yoshikazu Hirai ◽  
John T. Penniston

Spectrin is a membrane associated protein most of which properties have been tentatively elucidated. A main role of the protein has been assumed to give a supporting structure to inside of the membrane. As reported previously, however, the isolated spectrin molecule underwent self assemble to form such as fibrous, meshwork, dispersed or aggregated arrangements depending upon the buffer suspended and was suggested to play an active role in the membrane conformational changes. In this study, the role of spectrin and actin was examined in terms of the molecular arrangements on the erythrocyte membrane surface with correlation to the functional states of the ghosts.Human erythrocyte ghosts were prepared from either freshly drawn or stocked bank blood by the method of Dodge et al with a slight modification as described before. Anti-spectrin antibody was raised against rabbit by injection of purified spectrin and partially purified.


Author(s):  
Lev Levintov ◽  
Harish Vashisth

Ribonucleic acid (RNA) molecules are known to undergo conformational changes in response to various environmental stimuli including temperature, pH, and ligands. In particular, viral RNA molecules are a key example...


Biochemistry ◽  
2005 ◽  
Vol 44 (50) ◽  
pp. 16624-16632 ◽  
Author(s):  
Silvia Lecchi ◽  
Kenneth E. Allen ◽  
Juan Pablo Pardo ◽  
A. Brett Mason ◽  
Carolyn W. Slayman

2001 ◽  
Vol 14 (2) ◽  
pp. 202-210 ◽  
Author(s):  
Catherine Moali ◽  
Jean-Luc Boucher ◽  
Axelle Renodon-Corniere ◽  
Dennis J. Stuehr ◽  
Daniel Mansuy

2021 ◽  
Vol 10 (11) ◽  
pp. 2306
Author(s):  
Giuseppe Carota ◽  
Simone Ronsisvalle ◽  
Federica Panarello ◽  
Daniele Tibullo ◽  
Anna Nicolosi ◽  
...  

Although the epidemic caused by SARS-CoV-2 callings for international attention to develop new effective therapeutics, no specific protocol is yet available, leaving patients to rely on general and supportive therapies. A range of respiratory diseases, including pulmonary fibrosis, have been associated with higher iron levels that may promote the course of viral infection. Recent studies have demonstrated that some natural components could act as the first barrier against viral injury by affecting iron metabolism. Moreover, a few recent studies have proposed the combination of protease inhibitors for therapeutic use against SARS-CoV-2 infection, highlighting the role of viral protease in virus infectivity. In this regard, this review focuses on the analysis, through literature and docking studies, of a number of natural products able to counteract SARS-CoV-2 infection, acting both as iron chelators and protease inhibitors.


Author(s):  
Zhao Yang ◽  
Fan Yang ◽  
Anthony Nguen ◽  
Chuan Liu ◽  
Amy Lin ◽  
...  

1996 ◽  
Vol 159 (2) ◽  
pp. 418-426 ◽  
Author(s):  
Dezheng Wang ◽  
Olivier Dewaele ◽  
Ann M.De Groote ◽  
Gilbert F. Froment

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