Artificial intelligence for drug repurposing against infectious diseases

Artificial Intelligence Chemistry, Journal Year: 2024, Volume and Issue: 2(2), P. 100071 - 100071

Published: June 12, 2024

Traditional drug discovery struggles to keep pace with the ever-evolving threat of infectious diseases. New viruses and antibiotic-resistant bacteria, all demand rapid solutions. Artificial Intelligence (AI) offers a promising path forward through accelerated repurposing. AI allows researchers analyze massive datasets, revealing hidden connections between existing drugs, disease targets, potential treatments. This approach boasts several advantages. First, repurposing drugs leverages established safety data reduces development time costs. Second, can broaden search for effective therapies by identifying unexpected new targets. Finally, help mitigate limitations predicting minimizing side effects, optimizing repurposing, navigating intellectual property hurdles. The article explores specific strategies like virtual screening, target identification, structure base design natural language processing. Real-world examples highlight AI-driven in discovering treatments

Language: Английский

Synthesis and Evaluation of 9-Aminoacridines with SARS-CoV-2 Antiviral Activity

ACS Omega, Journal Year: 2023, Volume and Issue: 8(43), P. 40817 - 40822

Published: Oct. 19, 2023

There have been relatively few small molecules developed with direct activity against the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Two existing antimalarial drugs, pyronaridine and quinacrine, display whole cell SARS-CoV-2 in A549 + ACE2 cells (pretreatment, IC50 = 0.23 0.19 μM, respectively) moderate cytotoxicity (CC50 11.53 9.24 respectively). Moreover, displays vitro PLpro (IC50 1.8 μM). Given their antiviral activity, these compounds are strong candidates for repurposing COVID-19 prompt us to study structure–activity relationship of 9-aminoacridine scaffold using traditional medicinal chemistry identify promising new analogs. Our studies identified several novel analogs possessing potent U2-OS GFP 1-10 1-11 < 1.0 μM) as well > 4.0 Compounds such 7g, 9c, 7e were more active, demonstrating selectivity indices SI 10, 9c displayed strongest ≤ 0.42 CC50 ≥ 4.41 10) among them, indicating that it has potential a lead molecule this series COVID-19.

Language: Английский

The Use of Wearable Devices to Measure Sedentary Behavior during COVID-19: Systematic Review and Future Recommendations

Sensors, Journal Year: 2023, Volume and Issue: 23(23), P. 9449 - 9449

Published: Nov. 27, 2023

The SARS-CoV-2 pandemic resulted in approximately 7 million deaths and impacted 767 individuals globally, primarily through infections. Acknowledging the impactful influence of sedentary behaviors, particularly exacerbated by COVID-19 restrictions, a substantial body research has emerged, utilizing wearable sensor technologies to assess these behaviors. This comprehensive review aims establish framework encompassing recent studies concerning applications measure behavior parameters during pandemic, spanning December 2019 2022. After examining 582 articles, were selected for inclusion. While most displayed effective reporting standards adept use device data their specific aims, our inquiry revealed deficiencies apparatus accuracy documentation study methodology harmonization. Despite methodological variations, diverse metrics, absence thorough assessments, integrating wearables within context offers promising avenue objective measurements strategies against

Language: Английский