Molecular characteristics, immune evasion, and impact of SARS-CoV-2 variants

C Sun, C Xie, GL Bu, LY Zhong, MS Zeng - Signal Transduction and …, 2022 - nature.com
The persistent COVID-19 pandemic since 2020 has brought an enormous public health
burden to the global society and is accompanied by various evolution of the virus genome …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Computational investigation of benzalacetophenone derivatives against SARS-CoV-2 as potential multi-target bioactive compounds

P Khanal, VS Patil, VV Bhandare, PSR Dwivedi… - Computers in Biology …, 2022 - Elsevier
Benzalacetophenones, precursors of flavonoids are aromatic ketones and enones and
possess the immunostimulant as well as antiviral activities. Thus, benzalacetophenones …

Molecular modelling and structure-activity relationship of a natural derivative of o-hydroxybenzoate as a potent inhibitor of dual NSP3 and NSP12 of SARS-CoV-2: In …

YO Ayipo, I Ahmad, YS Najib, SK Sheu… - Journal of …, 2023 - Taylor & Francis
The nsp3 macrodomain and nsp12 (RdRp) enzymes are strongly implicated in the virulent
regulation of the host immune response and viral replication of SARS-CoV-2, making them …

[HTML][HTML] An overview of potential inhibitors targeting non-structural proteins 3 (PLpro and Mac1) and 5 (3CLpro/Mpro) of SARS-CoV-2

F Yan, F Gao - Computational and structural biotechnology journal, 2021 - Elsevier
There is an urgent need to develop effective treatments for coronavirus disease 2019
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …

Identification of a dual acting SARS-CoV-2 proteases inhibitor through in silico design and step-by-step biological characterization

V Di Sarno, G Lauro, S Musella, T Ciaglia… - European Journal of …, 2021 - Elsevier
COVID-19 pandemic, starting from the latest 2019, and caused by SARS-CoV-2 pathogen,
led to the hardest health-socio-economic disaster in the last century. Despite the …

Virtual high throughput screening: Potential inhibitors for SARS-CoV-2 PLPRO and 3CLPRO proteases

D Jade, S Ayyamperumal, V Tallapaneni… - European journal of …, 2021 - Elsevier
Abstract The pandemic, COVID-19, has spread worldwide and affected millions of people.
There is an urgent need, therefore, to find a proper treatment for the novel coronavirus …

Dietary stigmastane-type saponins as promising dual-target directed inhibitors of SARS-CoV-2 proteases: A structure-based screening

OM Ogunyemi, GA Gyebi, IM Ibrahim, CO Olaiya… - RSC …, 2021 - pubs.rsc.org
Despite the development of COVID-19 vaccines, at present, there is still no approved
antiviral drug against the pandemic. The SARS-CoV-2 3-chymotrypsin-like proteases (S …

[HTML][HTML] Study of baicalin toward COVID-19 treatment: in silico target analysis and in vitro inhibitory effects on SARS-CoV-2 proteases

C Lin, FJ Tsai, YM Hsu, TJ Ho, GK Wang, YJ Chiu… - Biomedicine …, 2021 - karger.com
Negative impacts of COVID-19 on human health and economic and social activities urge
scientists to develop effective treatments. Baicalin is a natural flavonoid, extracted from a …

A novel therapeutic peptide blocks SARS-CoV-2 spike protein binding with host cell ACE2 receptor

S Rajpoot, T Ohishi, A Kumar, Q Pan, S Banerjee… - Drugs in R&D, 2021 - Springer
Abstract Background and Objective Coronavirus disease 2019 is a novel disease caused by
the severe acute respiratory syndrome coronavirus (SARS-CoV)-2 virus. It was first detected …