[HTML][HTML] The role of ai in drug discovery: challenges, opportunities, and strategies

A Blanco-Gonzalez, A Cabezon, A Seco-Gonzalez… - Pharmaceuticals, 2023 - mdpi.com
Artificial intelligence (AI) has the potential to revolutionize the drug discovery process,
offering improved efficiency, accuracy, and speed. However, the successful application of AI …

Computational protein design for COVID-19 research and emerging therapeutics

P Kalita, T Tripathi, AK Padhi - ACS Central Science, 2023 - ACS Publications
As the world struggles with the ongoing COVID-19 pandemic, unprecedented obstacles
have continuously been traversed as new SARS-CoV-2 variants continually emerge …

[HTML][HTML] Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD …

A Samad, A Ajmal, A Mahmood, B Khurshid… - Frontiers in Molecular …, 2023 - frontiersin.org
The new coronavirus SARS-COV-2, which emerged in late 2019 from Wuhan city of China
was regarded as causing agent of the COVID-19 pandemic. The primary protease which is …

[HTML][HTML] Computer-assisted design of peptide-based radiotracers

V Patamia, C Zagni, I Brullo, E Saccullo… - International Journal of …, 2023 - mdpi.com
In medical imaging, techniques such as magnetic resonance imaging, contrast-enhanced
computerized tomography, positron emission tomography (PET), and single-photon …

[HTML][HTML] Targeting the SARS-CoV-2 HR1 with small molecules as inhibitors of the fusion process

D Gentile, A Coco, V Patamia, C Zagni… - International Journal of …, 2022 - mdpi.com
The rapid and global propagation of the novel human coronavirus that causes severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) has produced an immediate urgency to …

[HTML][HTML] 1, 2-Dibenzoylhydrazine as a multi-inhibitor compound: A morphological and docking study

V Patamia, G Floresta, C Zagni, V Pistarà… - International Journal of …, 2023 - mdpi.com
In the framework of the multitarget inhibitor study, we report an in silico analysis of 1, 2-
dibenzoylhydrazine (DBH) with respect to three essential receptors such as the ecdysone …

Artificial intelligence in medicine and dentistry

M Vodanović, M Subašić, D Milošević… - … : International journal of …, 2023 - hrcak.srce.hr
Sažetak Introduction: Artificial intelligence has been applied in various fields throughout
history, but its integration into daily life is more recent. The first applications of AI were …

[HTML][HTML] Lessons learnt from COVID-19: computational strategies for facing present and future pandemics

M Pavan, S Moro - International Journal of Molecular Sciences, 2023 - mdpi.com
Since its outbreak in December 2019, the COVID-19 pandemic has caused the death of
more than 6.5 million people around the world. The high transmissibility of its causative …

[HTML][HTML] Tribulations and future opportunities for artificial intelligence in precision medicine

C Carini, AA Seyhan - Journal of Translational Medicine, 2024 - Springer
Upon a diagnosis, the clinical team faces two main questions: what treatment, and at what
dose? Clinical trials' results provide the basis for guidance and support for official protocols …

Recent advances in automated structure-based de novo drug design

Y Tang, R Moretti, J Meiler - Journal of Chemical Information and …, 2024 - ACS Publications
As the number of determined and predicted protein structures and the size of druglike 'make-
on-demand'libraries soar, the time-consuming nature of structure-based computer-aided …