[HTML][HTML] High throughput virtual screening to discover inhibitors of the main protease of the coronavirus SARS-CoV-2

OO Olubiyi, M Olagunju, M Keutmann, J Loschwitz… - Molecules, 2020 - mdpi.com
high-throughput virtual screening to discover potential inhibitors of 3CL pro of SARS- CoV-2…
3CL pro of SARS-CoV-2 [16] were also included in our virtual screening runs as references. …

High-throughput virtual screening and validation of a SARS-CoV-2 main protease noncovalent inhibitor

A Clyde, S Galanie, DW Kneller, H Ma… - Journal of chemical …, 2021 - ACS Publications
… of vaccines against the acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the … the
SARS-Cov-2 main protease (M pro ) by employing a scalable high-throughput virtual screening

High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment

B Naik, N Gupta, R Ojha, S Singh, VK Prajapati… - International Journal of …, 2020 - Elsevier
virus has stressed the likely need to identify novel inhibitors to alleviate and stop the pandemic.
In the present high throughput virtual screening … properties to screen natural compounds. …

[HTML][HTML] Discovery of SARS-CoV-2 Nsp14 and Nsp16 methyltransferase inhibitors by high-throughput virtual screening

R Bobrovs, I Kanepe, N Narvaiss, L Patetko, G Kalnins… - Pharmaceuticals, 2021 - mdpi.com
… The cap formation is performed by the SARS-CoV-2 mRNA … results from high-throughput
virtual screening against these … both MTases resulted in 80 virtual screening hits (39 against …

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
… Senathilake et al (Senathilake et al., Citation2020) performed a virtual screening for FDA …
In this paper, we discuss a virtual high-throughput screening of known drug databases to …

Novel inhibitors to ADP ribose phosphatase of SARS-CoV-2 identified by structure-based high throughput virtual screening and molecular dynamics simulations

DC Patel, KR Hausman, M Arba, A Tran… - Computers in Biology …, 2022 - Elsevier
… to treat SARS-CoV-2. In this regard, the use of structure-based high throughput virtual
screening … In the present study, we used the virtual screening approach to discover the potential …

High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models

GA Stevenson, D Jones, H Kim, WFD Bennett… - … for High Performance …, 2021 - dl.acm.org
… Faced with the imperative task of virtually screening molecules for inhibition of SARS-CoV-2
activity, we sought to apply and improve the fusion deep learning approach. First, we …

… of potential target endoribonuclease NSP15 inhibitors of SARSCOV‐2 from natural products through highthroughput virtual screening and molecular dynamics …

LC Hu, CH Ding, HY Li, ZZ Li, Y Chen… - Journal of Food …, 2022 - Wiley Online Library
… In this study, high-throughput virtual screening technology was used to screen the natural …
to become candidate drugs for the treatment of SARS-CoV-2. We hope that our research can …

[HTML][HTML] Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CLpro through high-throughput virtual screening and molecular dynamics …

WS Liu, HG Li, CH Ding, HX Zhang, RR Wang… - Aging (Albany …, 2021 - ncbi.nlm.nih.gov
SARS-CoV-2. In this work, 3CL pro was used as the target to complete the high-throughput
virtual screening of the FDA-approved drugs, and Indinavir and other 10 drugs with high

[HTML][HTML] Structure-based high-throughput virtual screening and molecular dynamics simulation for the discovery of novel SARS-CoV-2 NSP3 Mac1 domain inhibitors

B Yazdani, H Sirous, S Brogi, V Calderone - Viruses, 2023 - mdpi.com
… the current study for the virtual screening process to identify novel SARS-CoV-2 NSP3 Mac1
… the current study for the virtual screening process to identify novel SARS-CoV-2 NSP3 Mac1 …