Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 Mpro Protease

E Tejera, CR Munteanu, A López-Cortés… - Molecules, 2020 - mdpi.com
Wuhan, China was the epicenter of the first zoonotic transmission of the severe acute
respiratory syndrome coronavirus clade 2 (SARS-CoV-2) in December 2019 and it is the …

Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel In Silico Method

M Sencanski, V Perovic, SB Pajovic, M Adzic… - Molecules, 2020 - mdpi.com
The SARS-CoV-2 outbreak caused an unprecedented global public health threat, having a
high transmission rate with currently no drugs or vaccines approved. An alternative powerful …

[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

Y Kumar, H Singh, CN Patel - Journal of infection and public health, 2020 - Elsevier
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 …

Developing a SARS-CoV-2 main protease binding prediction random forest model for drug repurposing for COVID-19 treatment

J Liu, L Xu, W Guo, Z Li, MKH Khan… - Experimental …, 2023 - journals.sagepub.com
The coronavirus disease 2019 (COVID-19) global pandemic resulted in millions of people
becoming infected with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) …

Re-purposing of hepatitis C virus FDA approved direct acting antivirals as potential SARS-CoV-2 protease inhibitors

R Uddin, K Jalal, K Khan - Journal of Molecular Structure, 2022 - Elsevier
A new coronavirus strain called as SARS-CoV-2 has emerged from Wuhan, China in late
2019 and it caused a worldwide pandemic in a few months. After the Second World War, it is …

QSAR Modeling of SARS‐CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV …

VM Alves, T Bobrowski, CC Melo‐Filho… - Molecular …, 2021 - Wiley Online Library
The main protease (Mpro) of the SARS‐CoV‐2 has been proposed as one of the major drug
targets for COVID‐19. We have identified the experimental data on the inhibitory activity of …

Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target

KG Arun, CS Sharanya, J Abhithaj… - Journal of …, 2021 - Taylor & Francis
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 …

Computational Screening Using a Combination of Ligand-Based Machine Learning and Molecular Docking Methods for the Repurposing of Antivirals Targeting the …

GPWC Yuda, N Hanif, A Hermawan - DARU Journal of Pharmaceutical …, 2024 - Springer
Background COVID-19 is an infectious disease caused by SARS-CoV-2, a close relative of
SARS-CoV. Several studies have searched for COVID-19 therapies. The topics of these …

[HTML][HTML] Drug repurposing approach against novel coronavirus disease (COVID-19) through virtual screening targeting SARS-CoV-2 main protease

KH Chowdhury, MR Chowdhury, S Mahmud, AM Tareq… - Biology, 2021 - mdpi.com
Abstract Novel coronavirus disease (COVID-19) was identified from China in December
2019 and spread rapidly through human-to-human transmission, affecting so many people …

[PDF][PDF] Virtual Screening based prediction of potential drugs for COVID-19

T Sekhar - Combinatorial Chemistry & High Throughput Screening, 2020 - researchgate.net
SARS-CoV-2 is the betacoronavirus responsible for the COVID-19 pandemic. It was listed as
a potential global health threat by WHO due to high mortality, high basic reproduction …