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 …
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 …
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 …
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 …
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 …
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
Essential oils and aromatic extracts (oleoresins, absolutes, concretes, resinoids) are often
used as food flavorings and constituents of fragrance compositions. The flavor and fragrance …
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 …
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
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 …
(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 …
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 …
transmission. They are widely distributed in nature and have recently become a major threat …