A review on drug repurposing applicable to COVID-19

S Dotolo, A Marabotti, A Facchiano… - Briefings in …, 2021 - academic.oup.com
Drug repurposing involves the identification of new applications for existing drugs at a lower
cost and in a shorter time. There are different computational drug-repurposing strategies and …

Progress in developing inhibitors of SARS-CoV-2 3C-like protease

Q Li, CB Kang - Microorganisms, 2020 - mdpi.com
Coronavirus disease 2019 (COVID-19) is caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2). The viral outbreak started in late 2019 and rapidly became a …

SperoPredictor: an integrated machine learning and molecular docking-based drug repurposing framework with use case of COVID-19

F Ahmed, JW Lee, A Samantasinghar, YS Kim… - Frontiers in public …, 2022 - frontiersin.org
The global spread of the SARS coronavirus 2 (SARS-CoV-2), its manifestation in human
hosts as a contagious disease, and its variants have induced a pandemic resulting in the …

Structure-Based Discovery of Novel Nonpeptide Inhibitors Targeting SARS-CoV-2 Mpro

J Yang, X Lin, N Xing, Z Zhang, H Zhang… - Journal of Chemical …, 2021 - ACS Publications
The continual spread of novel coronavirus disease 2019 (COVID-19) is caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), posing a severe threat to the …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

In vitro antiviral activity of doxycycline against SARS-CoV-2

M Gendrot, J Andreani, P Jardot, S Hutter, O Delandre… - Molecules, 2020 - mdpi.com
In December 2019, a new severe acute respiratory syndrome coronavirus (SARS-CoV-2),
causing coronavirus disease 2019 (COVID-19), emerged in Wuhan, China. Despite …

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study

MAA Ibrahim, EAR Mohamed… - Journal of Molecular …, 2021 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) is a new pandemic characterized by quick
spreading and illness of the respiratory system. To date, there is no specific therapy for …

Elucidation of cryptic and allosteric pockets within the SARS-CoV-2 main protease

T Sztain, R Amaro, JA McCammon - Journal of chemical …, 2021 - ACS Publications
The SARS-CoV-2 pandemic has rapidly spread across the globe, posing an urgent health
concern. Many quests to computationally identify treatments against the virus rely on in silico …

A review on computer‐aided chemogenomics and drug repositioning for rational COVID‐19 drug discovery

S Maghsoudi, B Taghavi Shahraki… - Chemical Biology & …, 2022 - Wiley Online Library
Application of materials capable of energy harvesting to increase the efficiency and
environmental adaptability is sometimes reflected in the ability of discovery of some traces in …

Drug repurposing against SARS-CoV-1, SARS-CoV-2 and MERS-CoV

S Aherfi, B Pradines, C Devaux, S Honore… - Future …, 2021 - Taylor & Francis
Since the beginning of the COVID-19 pandemic, large in silico screening studies and
numerous in vitro studies have assessed the antiviral activity of various drugs on SARS-CoV …