Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning

O Kadioglu, M Saeed, HJ Greten, T Efferth - Computers in biology and …, 2021 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) is a major threat worldwide due to its fast
spreading. As yet, there are no established drugs available. Speeding up drug discovery is …

Discovery of potent SARS-CoV-2 inhibitors from approved antiviral drugs via docking and virtual screening

S Chtita, A Belhassan, A Aouidate… - … chemistry & high …, 2021 - ingentaconnect.com
Background: Coronavirus Disease 2019 (COVID-19) pandemic continues to threaten
patients, societies and healthcare systems around the world. There is an urgent need to …

Machine learning models identify inhibitors of SARS-CoV-2

VO Gawriljuk, PPK Zin, AC Puhl, KM Zorn… - Journal of chemical …, 2021 - ACS Publications
With the rapidly evolving SARS-CoV-2 variants of concern, there is an urgent need for the
discovery of further treatments for the coronavirus disease (COVID-19). Drug repurposing is …

QSAR Modeling of SARS‐CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV …

VM Alves, T Bobrowski, CC Melo‐Filho… - Molecular …, 2021 - Wiley Online Library
The main protease (Mpro) of the SARS‐CoV‐2 has been proposed as one of the major drug
targets for COVID‐19. We have identified the experimental data on the inhibitory activity of …

In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking

CN Cavasotto, JI Di Filippo - Molecular informatics, 2021 - Wiley Online Library
In December 2019, an infectious disease caused by the coronavirus SARS‐CoV‐2
appeared in Wuhan, China. This disease (COVID‐19) spread rapidly worldwide, and on …

Potential anti‐SARS‐CoV‐2 drug candidates identified through virtual screening of the ChEMBL database for compounds that target the main coronavirus protease

M Tsuji - FEBS open bio, 2020 - Wiley Online Library
A novel coronavirus [severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), or
2019 novel coronavirus] has been identified as the pathogen of coronavirus disease 2019 …

[HTML][HTML] Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods

C Wu, Y Liu, Y Yang, P Zhang, W Zhong… - … Pharmaceutica Sinica B, 2020 - Elsevier
SARS-CoV-2 has caused tens of thousands of infections and more than one thousand
deaths. There are currently no registered therapies for treating coronavirus infections …

Update on therapeutic approaches and emerging therapies for SARS-CoV-2 virus

CA Omolo, N Soni, VO Fasiku, I Mackraj… - European Journal of …, 2020 - Elsevier
The global pandemic of coronavirus disease 2019 (COVID-19), caused by novel severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has resulted in over 7,273,958 …

In silico analysis of SARS-CoV-2 proteins as targets for clinically available drugs

WKB Chan, KM Olson, JW Wotring, JZ Sexton… - Scientific Reports, 2022 - nature.com
The ongoing pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) requires treatments with rapid clinical translatability. Here we develop a multi-target …

Predicting potential SARS-COV-2 drugs—In depth drug database screening using deep neural network framework SSnet, classical virtual screening and docking

N Karki, N Verma, F Trozzi, P Tao, E Kraka… - International Journal of …, 2021 - mdpi.com
Severe Acute Respiratory Syndrome Corona Virus 2 has altered life on a global scale. A
concerted effort from research labs around the world resulted in the identification of potential …