[HTML][HTML] Fullerenes against COVID-19: Repurposing C60 and C70 to Clog the Active Site of SARS-CoV-2 Protease

TD Marforio, EJ Mattioli, F Zerbetto, M Calvaresi - Molecules, 2022 - mdpi.com
The persistency of COVID-19 in the world and the continuous rise of its variants demand
new treatments to complement vaccines. Computational chemistry can assist in the …

[HTML][HTML] C60 fullerene against SARS-CoV-2 coronavirus: an in silico insight

VV Hurmach, MO Platonov, SV Prylutska, P Scharff… - Scientific reports, 2021 - nature.com
Based on WHO reports the new SARS-CoV-2 coronavirus is currently widespread all over
the world. So far> 162 million cases have been confirmed, including> 3 million deaths …

Anticoronavirus Activity of Water-Soluble Pristine C60 Fullerenes: In Vitro and In SilicoScreenings

V Hurmach, M Platonov, S Prylutska, Z Klestova… - … Therapeutics–Volume I …, 2022 - Springer
Introduction: The emergence of a new member of the Coronaviridae family, which caused
the 2020 pandemic, requires detailed research on the evolution of coronaviruses, their …

Functionalized Fullerene for Inhibition of SARS‐CoV‐2 Variants

TM Page, C Nie, L Neander, TL Povolotsky, AK Sahoo… - small, 2023 - Wiley Online Library
As virus outbreaks continue to pose a challenge, a nonspecific viral inhibitor can provide
significant benefits, especially against respiratory viruses. Polyglycerol sulfates recently …

Fullerene derivatives as inhibitors of the SARS-CoV-2 main protease

D Katagishi, D Yasuda, K Takahashi… - Bioorganic & Medicinal …, 2023 - Elsevier
COVID-19 is an ongoing worldwide pandemic. Even today, there is a need for the
development of effective therapeutic agents. SARS-CoV-2 is known as the causative virus of …

SARS-CoV-2 external structures interacting with nanospheres using docking and molecular dynamics

AY Martins da Silva, TS Arouche… - Journal of …, 2023 - Taylor & Francis
Coronavirus is caused by the SARS-CoV-2 virus has shown rapid proliferation and scarcity
of treatments with proven effectiveness. In this way, we simulated the hospitalization of …

COVID-19 and flavonoids: In silico molecular dynamics docking to the active catalytic site of SARS-CoV and SARS-CoV-2 main protease

L Peterson - Available at SSRN 3599426, 2020 - papers.ssrn.com
Background: Inhibition of the main protease 3CLpro of SARS-CoV and SARS-CoV-2 is
being targeted in the search for antivirals to shorten patient recovery times from COVID-19 …

[HTML][HTML] Functionalized Fullerene Potentially Inhibits SARS-CoV-2 Infection by Modulating Spike Protein Conformational Changes

K Liu, F Guo, Y Ma, X Yu, X Fu, W Li, W Han - International Journal of …, 2023 - mdpi.com
The disease of SARS-CoV-2 has caused considerable morbidity and mortality globally.
Spike proteins on the surface of SARS-CoV-2 allow it to bind with human cells, leading to …

[HTML][HTML] Targeting the coronavirus SARS-CoV-2: computational insights into the mechanism of action of the protease inhibitors lopinavir, ritonavir and nelfinavir

G Bolcato, M Bissaro, M Pavan, M Sturlese, S Moro - Scientific Reports, 2020 - nature.com
Coronavirus SARS-CoV-2 is a recently discovered single-stranded RNA betacoronavirus,
responsible for a severe respiratory disease known as coronavirus disease 2019, which is …

An Androsterone‐H2@C60 hybrid: Synthesis, Properties and Molecular Docking Simulations with SARS‐Cov‐2

M Suárez, K Makowski, R Lemos, L Almagro… - …, 2021 - Wiley Online Library
We report the synthesis and characterization of a fullerene‐steroid hybrid that contains H2@
C60 and a dehydroepiandrosterone moiety synthesized by a cyclopropanation reaction with …