Computational molecular docking and virtual screening revealed promising SARS-CoV-2 drugs

M Hosseini, W Chen, D Xiao… - Precision clinical medicine, 2021 - academic.oup.com
… The results of our analysis with some other suggested drugs indicated that chloroquine and
… approach and virtual screening identified some promising candidate SARS-CoV-2 inhibitors …

Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors

A Jimenez-Alberto, RM Ribas-Aparicio… - … biology and chemistry, 2020 - Elsevier
… the current COVID-19drugs as potential inhibitors of Mpro from SARS-CoV-2; our findings
show that several molecules warrant further analysis as treatment options against COVID-19. …

Virtual screening FDA approved drugs against multiple targets of SARSCoV2

H Liang, L Zhao, X Gong, M Hu… - Clinical and translational …, 2021 - Wiley Online Library
… modeling screening for potential drugs that may interact with multiple main proteins of … , in
silico screening the FDA approved drugs against multiple proteins of SARS-CoV-2 can provide …

Drugs repurposed for COVID-19 by virtual screening of 6,218 drugs and cell-based assay

WD Jang, S Jeon, S Kim… - Proceedings of the …, 2021 - National Acad Sciences
virtual screening with pre- and postdocking pharmacophore filtering of 6,218 drugs for
COVID-19… Notably, 7 out of 38 compounds showed efficacies in inhibiting SARS-CoV-2 in Vero …

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 - … in biology and medicine, 2021 - Elsevier
… to identify candidate drugs using a combined approach of virtual drug screening, molecular
drugs to investigate their potential for repurposing as anti-SARS-CoV-2 drugs as well as two

[PDF][PDF] Virtual Screening based prediction of potential drugs for COVID-19

T Sekhar - Combinatorial Chemistry & High Throughput Screening, 2020 - researchgate.net
… structures of the Main protease, Mpro of SARS-CoV-2 [39], were utilized in the … virtual
screening. Large scale docking studies for rapid identification of potential inhibitors of SARS-CoV-2

High-throughput virtual screening of drug databanks for potential inhibitors of SARS-CoV-2 spike glycoprotein

IE Awad, AAAA Abu-Saleh, S Sharma… - Journal of …, 2022 - Taylor & Francis
… , main protease and the SARS-CoV-2 RBD-ACE2 complex (… ) performed a virtual screening
for FDA approved drugs and … a virtual high-throughput screening of known drug databases …

Repurposing FDA-approved drugs targeting SARS-CoV2 3CLpro: a study by applying virtual screening, molecular dynamics, MM-PBSA calculations and Covalent …

IJ Santos Nascimento, TM Aquino… - Letters in Drug …, 2022 - ingentaconnect.com
virtual drug screenings need to use structures with the preserved active site [65, 66]. Interestingly,
we observed that MERS-CoV … These changes may be unfavorable in virtual screening. …

[HTML][HTML] Drug repurposing approach against novel coronavirus disease (COVID-19) through virtual screening targeting SARS-CoV-2 main protease

KH Chowdhury, MR Chowdhury, S Mahmud, AM Tareq… - Biology, 2021 - mdpi.com
… the SARS-CoV-2 main protease as a potential drug target to screen drugs for repurposing
against COVID-19. … docking-based virtual screening to determine promising inhibitors of novel …

Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design

FJ Meyer-Almes - Computational Biology and Chemistry, 2020 - Elsevier
… It is anticipated that the development time of a drug with known side … virtual screen of a
collection of approved drugs against the crystal structure of 3CL pro from SARS-CoV-2 using two