Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii
Nature Portfolio » Drug Discovery
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5d ago
Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant infection are an urgent need. The cerastecins are potent, bactericidal and efficacious in animal models of infection, and may enable new treatment modalities targeting LOS transport ..read more
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Obesity drugs aren’t always forever. What happens when you quit?
Nature Portfolio » Drug Discovery
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5d ago
Obesity drugs aren’t always forever. What happens when you quit? Many researchers think that Wegovy and Ozempic should be taken for life, but myriad factors can force people off them ..read more
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Design of three-component essential oil extract mixture from Cymbopogon flexuosus, Carum carvi, and Acorus calamus with enhanced antioxidant activity
Nature Portfolio » Drug Discovery
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5d ago
Design of three-component essential oil extract mixture from ..read more
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Hexahydrocannabinol (HHC) and Δ9-tetrahydrocannabinol (Δ9-THC) driven activation of cannabinoid receptor 1 results in biased intracellular signaling
Nature Portfolio » Drug Discovery
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5d ago
-THC) driven activation of cannabinoid receptor 1 results in biased intracellular signaling ..read more
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Discovery of gefitinib-1,2,3-triazole derivatives against lung cancer via inducing apoptosis and inhibiting the colony formation
Nature Portfolio » Drug Discovery
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5d ago
Discovery of gefitinib-1,2,3-triazole derivatives against lung cancer via inducing apoptosis and inhibiting the colony formation ..read more
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HBCVTr: an end-to-end transformer with a deep neural network hybrid model for anti-HBV and HCV activity predictor from SMILES
Nature Portfolio » Drug Discovery
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5d ago
HBCVTr: an end-to-end transformer with a deep neural network hybrid model for anti-HBV and HCV activity predictor from SMILES ..read more
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Prospective de novo drug design with deep interactome learning
Nature Portfolio » Drug Discovery
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5d ago
Prospective de novo drug design with deep interactome learning The use of data-driven generative models for drug design is challenging due to the scarcity of data. Here, the authors introduce a “zero-shot" generative deep model to enable the generation of molecules by both structure- and ligand-based drug design and apply it to design PPAR ..read more
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Designer antibiotics by generative AI
Nature Portfolio » Drug Discovery
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2w ago
Researchers developed an AI model that designs novel, synthesizable antibiotic compounds — several of which showed potent in vitro activity against priority pathogens ..read more
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Using Mendelian randomization provides genetic insights into potential targets for sepsis treatment
Nature Portfolio » Drug Discovery
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2w ago
Using Mendelian randomization provides genetic insights into potential targets for sepsis treatment ..read more
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A unified analysis of evolutionary and population constraint in protein domains highlights structural features and pathogenic sites
Nature Portfolio » Drug Discovery
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2w ago
A unified analysis of evolutionary and population constraint in protein domains highlights structural features and pathogenic sites A proteome-scale analysis of human coding variants reveals constrained sites in thousands of domains. This highlights key structural or functional residues, including pathogenic sites, especially when integrated with evolutionary conservation ..read more
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