[HTML][HTML] Structure-based virtual screening to identify novel potential compound as an alternative to remdesivir to overcome the RdRp protein mutations in SARS-CoV-2
… SARS-CoV-2, which may confer resistance to the drug. In this study, we utilized a virtual
screening … be efficient in treating COVID-19 due to SARS-CoV-2 variants resistant to Remdesivir. …
screening … be efficient in treating COVID-19 due to SARS-CoV-2 variants resistant to Remdesivir. …
[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
… the SARS-COV-2 3CL pro protein as the target to conduct high-throughput virtual screening
of the … In this study, through the virtual screening method based on docking, high-throughput …
of the … In this study, through the virtual screening method based on docking, high-throughput …
[HTML][HTML] Virtual screening of phytochemical compounds as potential inhibitors against SARS-CoV-2 infection
R Kothandan, CASG Rajan, J Arjun, RRM Raj… - Beni-Suef University …, 2021 - Springer
… The present pandemic situation due to coronavirus has led to … various phytochemicals
virtually screened from various plant … drug in retroviral infection particularly coronavirus infection. …
virtually screened from various plant … drug in retroviral infection particularly coronavirus infection. …
… of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and …
D Bhowmik, R Nandi, R Jagadeesan, N Kumar… - Infection, Genetics and …, 2020 - Elsevier
… SARS-CoV-2 envelope protein. Caffeic acid and ferulic acid were found to inhibit SARS-CoV-…
SARS-CoV-2 by inhibiting the envelope formation, virion assembly and viral pathogenesis. …
SARS-CoV-2 by inhibiting the envelope formation, virion assembly and viral pathogenesis. …
In silico identification of novel SARS-COV-2 2′-O-methyltransferase (nsp16) inhibitors: structure-based virtual screening, molecular dynamics simulation and MM …
… protocol of structure-based virtual screening aiming at identifying a novel potential inhibitor
for SARS COV-2 2′-O-methyltransferase. We used the crystal structure of SARS-COV-2 2′-…
for SARS COV-2 2′-O-methyltransferase. We used the crystal structure of SARS-COV-2 2′-…
[PDF][PDF] Virtual Screening based prediction of potential drugs for COVID-19
T Sekhar - Combinatorial Chemistry & High Throughput Screening, 2020 - researchgate.net
… with other drugs [75], it would be worthwhile to investigate the repurposing of the approved
drugs identified in this study which are predicted to have higher affinity for SARSCoV-2 Mpro. …
drugs identified in this study which are predicted to have higher affinity for SARSCoV-2 Mpro. …
Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study
… a pharmacophore modelling study aiming at the virtual screening of the databases and to
identify … Databases for virtual screening For screening purpose, we have used five databases, …
identify … Databases for virtual screening For screening purpose, we have used five databases, …
[HTML][HTML] Predicting potential SARS-COV-2 drugs—In depth drug database screening using deep neural network framework SSnet, classical virtual screening and …
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 …
concerted effort from research labs around the world resulted in the identification of potential …
Targeting the SARS-CoV-2 spike glycoprotein prefusion conformation: virtual screening and molecular dynamics simulations applied to the identification of potential …
… of the spike S glycoprotein in regulating coronavirus infections in the natural host. Taking …
of SARS-CoV-2 S trimer in the prefusion conformation, we performed a virtual screening …
of SARS-CoV-2 S trimer in the prefusion conformation, we performed a virtual screening …
[HTML][HTML] … different docking engines and consensus strategies to design and validate optimized virtual screening protocols for the SARS-CoV-2 3CL protease
… illness and its similarity with the SARS coronavirus (SARS-CoV, genome equal to 82%), the
virus was called SARS-CoV-2 (severe acute respiratory syndrome-coronavirus-2), while the …
virus was called SARS-CoV-2 (severe acute respiratory syndrome-coronavirus-2), while the …