Discovery of potent SARS-CoV-2 inhibitors from approved antiviral drugs via docking and virtual screening

S Chtita, A Belhassan, A Aouidate… - … chemistry & high …, 2021 - ingentaconnect.com
Background: Coronavirus Disease 2019 (COVID-19) pandemic continues to threaten
patients, societies and healthcare systems around the world. There is an urgent need to …

Predicting novel drug candidates against Covid-19 using generative deep neural networks

S Amilpur, R Bhukya - Journal of Molecular Graphics and Modelling, 2022 - Elsevier
The novel Coronavirus outbreak has created a massive economic crisis, and many succumb
to death, disturbing the lives of mankind all over the world. Currently, there are no viable …

In-silico screening and molecular dynamics simulation of drug bank experimental compounds against SARS-CoV-2

NA Alturki, MM Mashraqi, A Alzamami, YS Alghamdi… - Molecules, 2022 - mdpi.com
For the last few years, the world has been going through a difficult time, and the reason
behind this is severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2), one of the …

[HTML][HTML] Artificial intelligence approach fighting COVID-19 with repurposing drugs

YY Ke, TT Peng, TK Yeh, WZ Huang, SE Chang… - Biomedical journal, 2020 - Elsevier
Background The ongoing COVID-19 pandemic has caused more than 193,825 deaths
during the past few months. A quick-to-be-identified cure for the disease will be a therapeutic …

Advances and perspectives in applying deep learning for drug design and discovery

CF Lipinski, VG Maltarollo, PR Oliveira… - Frontiers in Robotics …, 2019 - frontiersin.org
Discovering (or planning) a new drug candidate involves many parameters, which makes
this process slow, costly, and leading to failures at the end in some cases. In the last …

[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 …

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

S Boopathi, AB Poma, P Kolandaivel - Journal of Biomolecular …, 2021 - Taylor & Francis
In the past two decades, the world has faced several infectious disease outbreaks. Ebola,
Influenza A (H1N1), SARS, MERS, and Zika virus have had a massive global impact in terms …

Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities

A Gangwal, A Ansari, I Ahmad, AK Azad… - Frontiers in …, 2024 - frontiersin.org
There are two main ways to discover or design small drug molecules. The first involves fine-
tuning existing molecules or commercially successful drugs through quantitative structure …

Deep learning based drug screening for novel coronavirus 2019-nCov

H Zhang, KM Saravanan, Y Yang, MT Hossain… - Interdisciplinary …, 2020 - Springer
A novel coronavirus, called 2019-nCoV, was recently found in Wuhan, Hubei Province of
China, and now is spreading across China and other parts of the world. Although there are …

Current strategies of antiviral drug discovery for COVID-19

M Mei, X Tan - Frontiers in Molecular Biosciences, 2021 - frontiersin.org
SARS-CoV-2 belongs to the family of enveloped, single-strand RNA viruses known as
Betacoronavirus in Coronaviridae, first reported late 2019 in China. It has since been …