Remdesivir: a review of its discovery and development leading to emergency use authorization for treatment of COVID-19

RT Eastman, JS Roth, KR Brimacombe… - ACS central …, 2020 - ACS Publications
The global pandemic of SARS-CoV-2, the causative viral pathogen of COVID-19, has driven
the biomedical community to action—to uncover and develop antiviral interventions. One …

SARS-CoV-2 tropism, entry, replication, and propagation: Considerations for drug discovery and development

N Murgolo, AG Therien, B Howell, D Klein… - Advances in Clinical …, 2021 - taylorfrancis.com
Coronaviruses, named for their crown-like spiked surface, are genetically diverse and can
infect multiple animal species, including bats, pigs, cats, rodents, and humans. Aside from …

Network medicine framework for identifying drug-repurposing opportunities for COVID-19

D Morselli Gysi, Í Do Valle, M Zitnik… - Proceedings of the …, 2021 - National Acad Sciences
The COVID-19 pandemic has highlighted the need to quickly and reliably prioritize clinically
approved compounds for their potential effectiveness for severe acute respiratory syndrome …

GEOM, energy-annotated molecular conformations for property prediction and molecular generation

S Axelrod, R Gomez-Bombarelli - Scientific Data, 2022 - nature.com
Abstract Machine learning (ML) outperforms traditional approaches in many molecular
design tasks. ML models usually predict molecular properties from a 2D chemical graph or a …

SARS-CoV-2 Mpro: A Potential Target for Peptidomimetics and Small-Molecule Inhibitors

A Citarella, A Scala, A Piperno, N Micale - Biomolecules, 2021 - mdpi.com
The uncontrolled spread of the COVID-19 pandemic caused by the new coronavirus SARS-
CoV-2 during 2020–2021 is one of the most devastating events in the history, with …

Identification of inhibitors of SARS-CoV-2 3CL-pro enzymatic activity using a small molecule in vitro repurposing screen

M Kuzikov, E Costanzi, J Reinshagen… - ACS pharmacology & …, 2021 - ACS Publications
Compound repurposing is an important strategy for the identification of effective treatment
options against SARS-CoV-2 infection and COVID-19 disease. In this regard, SARS-CoV-2 …

Identifying SARS-CoV-2 entry inhibitors through drug repurposing screens of SARS-S and MERS-S pseudotyped particles

CZ Chen, M Xu, M Pradhan, K Gorshkov… - ACS Pharmacology & …, 2020 - ACS Publications
While vaccine development will hopefully quell the global pandemic of COVID-19 caused by
SARS-CoV-2, small molecule drugs that can effectively control SARS-CoV-2 infection are …

Drug repurposing screen for compounds inhibiting the cytopathic effect of SARS-CoV-2

CZ Chen, P Shinn, Z Itkin, RT Eastman… - Frontiers in …, 2021 - frontiersin.org
Drug repurposing is a rapid approach to identify therapeutics for the treatment of emerging
infectious diseases such as COVID-19. To address the urgent need for treatment options, we …

The SARS-CoV-2 cytopathic effect is blocked by lysosome alkalizing small molecules

K Gorshkov, CZ Chen, R Bostwick… - ACS infectious …, 2020 - ACS Publications
Understanding the SARS-CoV-2 virus' pathways of infection, virus–host–protein interactions,
and mechanisms of virus-induced cytopathic effects will greatly aid in the discovery and …

Histamine receptors and COVID-19

M Ennis, K Tiligada - Inflammation Research, 2021 - Springer
Objective Reports that the over-the-counter histamine H 2 receptor antagonist famotidine
could help treat the novel coronavirus disease (COVID-19) appeared from April 2020. We …