Artificial intelligence in early drug discovery enabling precision medicine

F Boniolo, E Dorigatti, AJ Ohnmacht… - Expert Opinion on …, 2021 - Taylor & Francis
Introduction: Precision medicine is the concept of treating diseases based on environmental
factors, lifestyles, and molecular profiles of patients. This approach has been found to …

Deep learning in target prediction and drug repositioning: Recent advances and challenges

JL Yu, QQ Dai, GB Li - Drug Discovery Today, 2022 - Elsevier
Highlights•Basic principles of commonly used deep learning architectures.•Drug–target
interactions based deep learning approaches for drug repositioning.•Heterogeneous …

In-silico drug repurposing study predicts the combination of pirfenidone and melatonin as a promising candidate therapy to reduce SARS-CoV-2 infection progression …

L Artigas, M Coma, P Matos-Filipe, J Aguirre-Plans… - PLoS …, 2020 - journals.plos.org
From January 2020, COVID-19 is spreading around the world producing serious respiratory
symptoms in infected patients that in some cases can be complicated by the severe acute …

[HTML][HTML] 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 …

Knowledge graphs for COVID-19: an exploratory review of the current landscape

A Chatterjee, C Nardi, C Oberije, P Lambin - Journal of personalized …, 2021 - mdpi.com
Background: Searching through the COVID-19 research literature to gain actionable clinical
insight is a formidable task, even for experts. The usefulness of this corpus in terms of …

[HTML][HTML] Current status of baricitinib as a repurposed therapy for COVID-19

M Saber-Ayad, S Hammoudeh, E Abu-Gharbieh… - Pharmaceuticals, 2021 - mdpi.com
The emergence of the COVID-19 pandemic has mandated the instant (re) search for
potential drug candidates. In response to the unprecedented situation, it was recognized …

[HTML][HTML] Cascading from SARS-CoV-2 to parkinson's disease through protein-protein interactions

E Estrada - Viruses, 2021 - mdpi.com
Extensive extrapulmonary damages in a dozen of organs/systems, including the central
nervous system (CNS), are reported in patients of the coronavirus disease 2019 (COVID …

CovMulNet19, integrating proteins, diseases, drugs, and symptoms: a network medicine approach to COVID-19

N Verstraete, G Jurman, G Bertagnolli… - Network and systems …, 2020 - liebertpub.com
Introduction: We introduce in this study CovMulNet19, a comprehensive COVID-19 network
containing all available known interactions involving SARS-CoV-2 proteins, interacting …

A generic encapsulation to unravel social spreading of a pandemic: An underlying architecture

S Alqithami - Computers, 2021 - mdpi.com
Cases of a new emergent infectious disease caused by mutations in the coronavirus family,
called “COVID-19,” have spiked recently, affecting millions of people, and this has been …

Aim in Genomics: Ontological and Connectivity Structure of Disease-Gene Modules in the Human Interactome

P Velardi, L Madeddu - Artificial Intelligence in Medicine, 2022 - Springer
The reductionist approach has dominated scientific research for several centuries and has
been widely applied in the biomedical field. However, as we move into the realm of complex …