Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease
EM Marinho, JB de Andrade Neto, J Silva… - Microbial …, 2020 - Elsevier
… the molecular interactions of drugs with therapeutic indications for treatment of COVID-19
(… structures (Chloroquine, Quinacrine and Ruxolitinib) in docking models from the SARS-CoV-2 …
(… structures (Chloroquine, Quinacrine and Ruxolitinib) in docking models from the SARS-CoV-2 …
Synthesis and molecular docking study of novel COVID-19 inhibitors
… to interact with selected COVID-19 proteins. The interaction of molecules with target NSPs
and their binding ability have been demonstrated by molecular docking studies. According to …
and their binding ability have been demonstrated by molecular docking studies. According to …
[PDF][PDF] The molecular docking study of potential drug candidates showing anti-COVID-19 activity by exploring of therapeutic targets of SARS-CoV-2
RR Narkhede, RS Cheke, JP Ambhore… - Eurasian J. Med …, 2020 - academia.edu
… [14] Docking with the COVID-19 Mpro in complex with the inhibitor N3 was explored in this
… [16] Therefore, docking of chloroquine and hydroxychloroquine with the COVID-19 Mpro (in …
… [16] Therefore, docking of chloroquine and hydroxychloroquine with the COVID-19 Mpro (in …
Computational screening of antagonists against the SARS-CoV-2 (COVID-19) coronavirus by molecular docking
R Yu, L Chen, R Lan, R Shen, P Li - International journal of antimicrobial …, 2020 - Elsevier
… In the current spread of novel coronavirus (SARS-CoV-2), antiviral drug discovery is of … by
molecular docking with the structural protein and non-structural protein sites of new coronavirus…
molecular docking with the structural protein and non-structural protein sites of new coronavirus…
[HTML][HTML] Molecular docking, molecular dynamics, and in vitro studies reveal the potential of angiotensin II receptor blockers to inhibit the COVID-19 main protease
… beginning of the COVID-19 pandemic. In this study, we carried out a virtual screening for
almost all members of ARBs (nine) against COVID-19 main protease. Molecular docking as one …
almost all members of ARBs (nine) against COVID-19 main protease. Molecular docking as one …
[HTML][HTML] Identification of Compounds from Nigella Sativa as New Potential Inhibitors of 2019 Novel Coronasvirus (Covid-19): Molecular Docking Study.
S Bouchentouf, N Missoum - 2020 - europepmc.org
… study, using molecular docking, we identify new probable inhibitors of COVID-19 by molecules
… The discovery of the M pro protease structure in COVID-19 provides a great opportunity to …
… The discovery of the M pro protease structure in COVID-19 provides a great opportunity to …
[HTML][HTML] Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
… of COVID-19 can be a target protein of these nucleotides in silico using molecular docking.
… been established to investigate the effectiveness of the drugs as inhibitors for COVID 19. …
… been established to investigate the effectiveness of the drugs as inhibitors for COVID 19. …
Molecular docking and virtual screening based prediction of drugs for COVID-19
S Talluri - Combinatorial Chemistry & High Throughput …, 2021 - ingentaconnect.com
… to identify drugs for the treatment of COVID-19 [19]. Docking utilizes the structure of the
recep… Docking can also be used to screen a large number of receptors for potential binding to a …
recep… Docking can also be used to screen a large number of receptors for potential binding to a …
Molecular docking study of COVID-19 main protease with clinically approved drugs
T Wafa, K Mohamed - 2020 - chemrxiv.org
… Although, several molecular docking studies have been established to find a potential …
for COVID-19 disease are available and investigations regarding the treatment of COVID-19 …
for COVID-19 disease are available and investigations regarding the treatment of COVID-19 …
[PDF][PDF] Potential inhibitor of COVID-19 main protease (Mpro) from several medicinal plant compounds by molecular docking study
… potential COVID-19 Mpro inhibitors, using a molecular docking study. Molecular docking was
… Autodock 4.2, with the Lamarckian Genetic Algorithm, to analyse the probability of docking. …
… Autodock 4.2, with the Lamarckian Genetic Algorithm, to analyse the probability of docking. …
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