Computational analysis of substrate recognition of Sars-Cov-2 Mpro main protease

HS Tasci, E Akkus, M Yildiz, A Kocak - Computational Biology and …, 2023 - Elsevier
M pro main protease takes an essential role in the Sars-Cov-2 viral life cycle by releasing
the individual protein from the single poly-peptide chain via proteolytic cleavage in the …

[HTML][HTML] Benchmarked molecular docking integrated molecular dynamics stability analysis for prediction of SARS-CoV-2 papain-like protease inhibition by olive …

N Thangavel, M Albratty - Journal of King Saud University-Science, 2023 - Elsevier
Objectives We performed a virtual screening of olive secoiridoids of the OliveNet TM library
to predict SARS-CoV-2 PLpro inhibition. Benchmarked molecular docking protocol that …

[HTML][HTML] DrugDevCovid19: An atlas of anti-COVID-19 compounds derived by computer-aided drug design

Y Liu, J Gan, R Wang, X Yang, Z Xiao, Y Cao - Molecules, 2022 - mdpi.com
Since the outbreak of SARS-CoV-2, numerous compounds against COVID-19 have been
derived by computer-aided drug design (CADD) studies. They are valuable resources for the …

[HTML][HTML] Mutational profiling of SARS-CoV-2 papain-like protease reveals requirements for function, structure, and drug escape

X Wu, M Go, JV Nguyen, NW Kuchel, BGC Lu… - Nature …, 2024 - nature.com
Papain-like protease (PLpro) is an attractive drug target for SARS-CoV-2 because it is
essential for viral replication, cleaving viral poly-proteins pp1a and pp1ab, and has de …

Repurposing 1, 2, 4-oxadiazoles as SARS-CoV-2 PLpro inhibitors and investigation of their possible viral entry blockade potential

MS Ayoup, MM ElShafey, H Abdel-Hamid… - European Journal of …, 2023 - Elsevier
Although vaccines are obviously mitigating the COVID-19 pandemic diffusion, efficient
complementary antiviral agents are urgently needed to combat SARS-CoV-2. The viral …

[HTML][HTML] Evaluation of the anti-SARS-CoV-2 properties of essential oils and aromatic extracts

DJ Strub, M Talma, M Strub, W Rut, M Zmudzinski… - Scientific reports, 2022 - nature.com
Essential oils and aromatic extracts (oleoresins, absolutes, concretes, resinoids) are often
used as food flavorings and constituents of fragrance compositions. The flavor and fragrance …

[HTML][HTML] First report on the QSAR modelling and multistep virtual screening of the inhibitors of nonstructural protein Nsp14 of SARS-CoV-2: reducing unnecessary …

Q Wang, T Fan, R Jia, N Zhang, L Zhao… - Arabian Journal of …, 2024 - Elsevier
Abstract Corona Virus Disease 2019 (COVID-19), caused by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), poses a serious threat to human health and life …

Mass spectrometric assays reveal discrepancies in inhibition profiles for the SARS‐CoV‐2 papain‐like protease

L Brewitz, JJAG Kamps, P Lukacik… - …, 2022 - Wiley Online Library
The two SARS‐CoV‐2 proteases, ie the main protease (Mpro) and the papain‐like protease
(PLpro), which hydrolyze the viral polypeptide chain giving functional non‐structural …

[HTML][HTML] Main and papain-like proteases as prospective targets for pharmacological treatment of coronavirus SARS-CoV-2

LV Yevsieieva, KO Lohachova, A Kyrychenko… - RSC …, 2023 - pubs.rsc.org
The pandemic caused by the coronavirus SARS-CoV-2 led to a global crisis in the world
healthcare system. Despite some progress in the creation of antiviral vaccines and mass …

[HTML][HTML] A Mini-Review on the Common Antiviral Drug Targets of Coronavirus

J Wang, Q Zhu, X Xing, D Sun - Microorganisms, 2024 - mdpi.com
Coronaviruses in general are a zoonotic pathogen with significant cross-species
transmission. They are widely distributed in nature and have recently become a major threat …