AIMC Topic: Isoindoles
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Discrimination of Respiratory Tract Infections by a Reduced Graphene Oxide Array Modified with Metal-Organic Frameworks and Metal Phthalocyanines.
ACS nano
May 16, 2025
As a prevalent clinical condition, it is critical to distinguish between bacterial and viral respiratory tract infections given their pivotal role in guiding appropriate pharmaceutical interventions and preventing antibiotic misuse. Exhaled breath (E...
Machine learning-based QSAR and LB-PaCS-MD guided design of SARS-CoV-2 main protease inhibitors.
Bioorganic & medicinal chemistry letters
Jun 24, 2024
The global outbreak of the COVID-19 pandemic caused by the SARS-CoV-2 virus had led to profound respiratory health implications. This study focused on designing organoselenium-based inhibitors targeting the SARS-CoV-2 main protease (M). The ligand-bi...
Exploring Antiviral Drugs on Monolayer Black Phosphorene: Atomistic Theory and Explainable Machine Learning-Assisted Platform.
International journal of molecular sciences
Apr 30, 2024
Favipiravir (FP) and ebselen (EB) belong to a diverse class of antiviral drugs known for their significant efficacy in treating various viral infections. Utilizing molecular dynamics (MD) simulations, machine learning, and van der Waals density funct...
Selenazolinium Salts as "Small Molecule Catalysts" with High Potency against ESKAPE Bacterial Pathogens.
Molecules (Basel, Switzerland)
Dec 8, 2017
In view of the pressing need to identify new antibacterial agents able to combat multidrug-resistant bacteria, we investigated a series of fused selenazolinium derivatives (-) regarding their in vitro antimicrobial activities against 25 ESKAPE-pathog...
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