Haste makes waste: a critical review of docking‐based virtual screening in drug repurposing for SARS‐CoV‐2 main protease (M‐pro) inhibition

G Macip, P Garcia‐Segura… - Medicinal Research …, 2022 - Wiley Online Library
This review makes a critical evaluation of 61 peer‐reviewed manuscripts that use a docking
step in a virtual screening (VS) protocol to predict SARS‐CoV‐2 M‐pro (M‐pro) inhibitors in …

Kinases as potential therapeutic targets for anti-coronaviral therapy

T Pillaiyar, S Laufer - Journal of Medicinal Chemistry, 2021 - ACS Publications
The global coronavirus disease-19 (COVID-19) has affected more than 140 million and
killed more than 3 million people worldwide as of April 20, 2021. The novel human severe …

3CL protease inhibitors with an electrophilic arylketone moiety as anti-SARS-CoV-2 agents

S Konno, K Kobayashi, M Senda, Y Funai… - Journal of Medicinal …, 2021 - ACS Publications
The novel coronavirus, SARS-CoV-2, has been identified as the causative agent for the
current coronavirus disease (COVID-19) pandemic. 3CL protease (3CLpro) plays a pivotal …

Small-molecule thioesters as SARS-CoV-2 main protease inhibitors: enzyme inhibition, structure–activity relationships, antiviral activity, and X-ray structure …

T Pillaiyar, P Flury, N Krüger, H Su… - Journal of Medicinal …, 2022 - ACS Publications
The main protease (Mpro, 3CLpro) of SARS-CoV-2 is an attractive target in coronaviruses
because of its crucial involvement in viral replication and transcription. Here, we report on …

Metallodrug Profiling against SARS‐CoV‐2 Target Proteins Identifies Highly Potent Inhibitors of the S/ACE2 interaction and the Papain‐like Protease PLpro

M Gil‐Moles, S Türck, U Basu… - … A European Journal, 2021 - Wiley Online Library
The global spread of the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2)
has called for an urgent need for dedicated antiviral therapeutics. Metal complexes are …

Kinase inhibitors as potential therapeutic agents in the treatment of COVID-19

RR Naik, AK Shakya, SM Aladwan… - Frontiers in …, 2022 - frontiersin.org
Corona virus is quickly spreading around the world. The goal of viral management is to
disrupt the virus's life cycle, minimize lung damage, and alleviate severe symptoms …

A review of the current landscape of SARS-CoV-2 main protease inhibitors: Have we hit the bullseye yet?

G Macip, P Garcia-Segura, J Mestres-Truyol… - International journal of …, 2021 - mdpi.com
In this review, we collected 1765 severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) M-pro inhibitors from the bibliography and other sources, such as the COVID …

Bisubstrate inhibitors of severe acute respiratory syndrome coronavirus-2 nsp14 methyltransferase

E Jung, R Soto-Acosta, J Xie, DJ Wilson… - ACS Medicinal …, 2022 - ACS Publications
Taking advantage of the uniquely constricted active site of SARS-CoV-2 Nsp14
methyltransferase, we have designed bisubstrate inhibitors interacting with the SAM and …

Multi-omics for COVID-19: driving development of therapeutics and vaccines

M Guo, M Xiong, J Peng, T Guan, H Su… - National Science …, 2023 - academic.oup.com
The ongoing COVID-19 pandemic caused by SARS-CoV-2 has raised global concern for
public health and economy. The development of therapeutics and vaccines to combat this …

Discovery of Polyphenolic Natural Products as SARS-CoV-2 Mpro Inhibitors for COVID-19

N Krüger, T Kronenberger, H Xie, C Rocha… - Pharmaceuticals, 2023 - mdpi.com
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has forced the
development of direct-acting antiviral drugs due to the coronavirus disease 2019 (COVID …