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 …

Synthesis and molecular docking study of novel COVID-19 inhibitors

Z Gerçek, D Ceyhan, E Erçağ - Turkish journal of chemistry, 2021 - journals.tubitak.gov.tr
… 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 …

[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 …

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

[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

R Alnajjar, A Mostafa, A Kandeil, AA Al-Karmalawy - Heliyon, 2020 - cell.com
… 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 …

[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 …

[HTML][HTML] Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations

M Hagar, HA Ahmed, G Aljohani… - … Journal of Molecular …, 2020 - mdpi.com
… 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. …

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 …

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

[PDF][PDF] Potential inhibitor of COVID-19 main protease (Mpro) from several medicinal plant compounds by molecular docking study

S Khaerunnisa, H Kurniawan, R Awaluddin, S Suhartati… - Preprints, 2020 - lavierebelle.org
… 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. …