Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase
The recent pandemic associated with SARS-CoV-2, a virus of the Coronaviridae family, has
resulted in an unprecedented number of infected people. The highly contagious nature of …
resulted in an unprecedented number of infected people. The highly contagious nature of …
In-silico drug repurposing and molecular dynamics puzzled out potential SARS-CoV-2 main protease inhibitors
MAA Ibrahim, AHM Abdelrahman… - Journal of biomolecular …, 2021 - Taylor & Francis
Herein, the DrugBank database which contains 10,036 approved and investigational drugs
was explored deeply for potential drugs that target SARS-CoV-2 main protease (Mpro) …
was explored deeply for potential drugs that target SARS-CoV-2 main protease (Mpro) …
Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)
The current coronavirus (SARS-COV-2) pandemic and phenomenal spread to every nook
and cranny of the world has raised major apprehensions about the modern public health …
and cranny of the world has raised major apprehensions about the modern public health …
[HTML][HTML] In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing
Background The rapidly enlarging COVID-19 pandemic caused by the novel SARS-corona
virus-2 is a global public health emergency of an unprecedented level. Unfortunately no …
virus-2 is a global public health emergency of an unprecedented level. Unfortunately no …
Discovery of New Hydroxyethylamine Analogs against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure …
The novel coronavirus, SARS-CoV-2, has caused a recent pandemic called COVID-19 and
a severe health threat around the world. In the current situation, the virus is rapidly …
a severe health threat around the world. In the current situation, the virus is rapidly …
Computational insights into tetracyclines as inhibitors against SARS-CoV-2 Mpro via combinatorial molecular simulation calculations
S Bharadwaj, KE Lee, VD Dwivedi, SG Kang - Life Sciences, 2020 - Elsevier
The COVID-19 pandemic raised by SARS-CoV-2 is a public health emergency. However,
lack of antiviral drugs and vaccine against human coronaviruses demands a concerted …
lack of antiviral drugs and vaccine against human coronaviruses demands a concerted …
Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design
FJ Meyer-Almes - Computational Biology and Chemistry, 2020 - Elsevier
Abstract 3CL proteases (3CL pro) are only found in RNA viruses and have a central role in
polyprotein processing during replication. Therefore, 3CL pro has emerged as promising …
polyprotein processing during replication. Therefore, 3CL pro has emerged as promising …
Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target
Since its first report in December 2019 from China, the COVID-19 pandemic caused by the
beta-coronavirus SARS-CoV-2 has spread at an alarming pace infecting about 5.59 million …
beta-coronavirus SARS-CoV-2 has spread at an alarming pace infecting about 5.59 million …
Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19
N Muralidharan, R Sakthivel… - Journal of …, 2021 - Taylor & Francis
A novel coronavirus, formally named as severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2) has caused coronavirus disease 2019 (COVID-19) worldwide, and it is the …
(SARS-CoV-2) has caused coronavirus disease 2019 (COVID-19) worldwide, and it is the …
Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach
S Mahanta, P Chowdhury, N Gogoi… - Journal of …, 2021 - Taylor & Francis
Abstract The Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) which was
first reported in Wuhan province of China, has become a deadly pandemic causing …
first reported in Wuhan province of China, has become a deadly pandemic causing …
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