Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (Mpro)
… A recent outbreak of a new strain of Coronavirus (SARS-CoV-… old drugs with the known
profile in tackling this pandemic. A … of previously known antibiotics against SARS-CoV-2 main …
profile in tackling this pandemic. A … of previously known antibiotics against SARS-CoV-2 main …
ADMET profile and virtual screening of plant and microbial natural metabolites as SARS-CoV-2 S1 glycoprotein receptor binding domain and main protease inhibitors
… , distribution and excretion parameters (ADME) and safety indices. … significance in treating
the SARS-CoV-2 infected patients. … could be explored as potential SARS-CoV-2 inhibitors, and …
the SARS-CoV-2 infected patients. … could be explored as potential SARS-CoV-2 inhibitors, and …
Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular …
… SARS-CoV-2 is the foremost culprit of the novel coronavirus disease 2019 (nCoV-19 and/or …
However, SARS-CoV-2 also known as novel coronavirus 2019 or nCoV-19belongs to the …
However, SARS-CoV-2 also known as novel coronavirus 2019 or nCoV-19belongs to the …
Synthesis, molecular docking, and in silico ADME/Tox profiling studies of new 1-aryl-5-(3-azidopropyl) indol-4-ones: Potential inhibitors of SARS CoV-2 main protease
FX Domínguez-Villa, NA Durán-Iturbide… - Bioorganic …, 2021 - Elsevier
… compounds with potential as inhibitors of the SARS CoV-2 3CLpro. These compounds were
… with protease 3CLpro of SARS CoV-2 as well as in silico ADME/Tox profilings to propose a …
… with protease 3CLpro of SARS CoV-2 as well as in silico ADME/Tox profilings to propose a …
… from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profiling
… caused by SARS-COV-2 virus of the coronavirus Family. The … active site of SARS-CoV-2
main protease was carried out. … The ADMET prediction was used in this study to calculate the …
main protease was carried out. … The ADMET prediction was used in this study to calculate the …
… analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (Mpro) through docking, molecular mechanic & dynamic, and ADMET profiling
K Kapusta, S Kar, JT Collins, LM Franklin… - Journal of …, 2021 - Taylor & Francis
… Admet properties To compare the ADMET profile of the selected 15 ligands from the …
The complete ADMET results for 15 ligands can be found in supplementary information. The …
The complete ADMET results for 15 ligands can be found in supplementary information. The …
EpiMed Coronabank Chemical Collection: Compound selection, ADMET analysis, and utilisation in the context of potential SARS-CoV-2 antivirals
E Pitsillou, RC Beh, JJ Liang, TS Tang, X Zhou… - Journal of Molecular …, 2023 - Elsevier
… and transcription of SARS-CoV-2, the host immune response, and complications associated
with COVID-19. We utilised the database to explore the ADMET profile of the compounds …
with COVID-19. We utilised the database to explore the ADMET profile of the compounds …
… of semi-synthesized compounds as potential inhibitors for SARS-CoV-2 papain-like protease: Pharmacophoric features, molecular docking, ADMET, toxicity and DFT …
… 2) that have the essential features of SARS-CoV-2 PLPIs was downloaded from the Eximed
… the Lipinski rule of five, ADMET, and toxicity profiling. The most promising derivatives were …
… the Lipinski rule of five, ADMET, and toxicity profiling. The most promising derivatives were …
Virtual screening, ADMET profiling, PASS prediction, and bioactivity studies of potential inhibitory roles of alkaloids, phytosterols, and flavonoids against COVID-19 …
… roles of alkaloids, phytosterols, and flavonoids against SARS-CoV-2 main protease (M pro
) through virtual screening, drug-likeness analysis, PASS prediction and ADMET profiling. …
) through virtual screening, drug-likeness analysis, PASS prediction and ADMET profiling. …
In search of SARS CoV-2 replication inhibitors: virtual screening, molecular dynamics simulations and ADMET analysis
… ADMET assay and stability of their complexes using molecular dynamics (MD) simulations in
search of effective SARS CoV… in search of potent inhibitors of SARS CoV-2, herein we have …
search of effective SARS CoV… in search of potent inhibitors of SARS CoV-2, herein we have …
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