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Artificial Intelligence in Retrosynthesis Prediction and its Applications in Medicinal Chemistry.
J Med Chem
January 2025
Medicinal Chemistry and Bioinformatics Center, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China.
Retrosynthesis is a strategy to analyze the synthetic routes for target molecules in medicinal chemistry. However, traditional retrosynthesis predictions performed by chemists and rule-based expert systems struggle to adapt to the vast chemical space of real-world scenarios. Artificial intelligence (AI) has revolutionized retrosynthesis prediction in recent decades, significantly increasing the accuracy and diversity of predictions for target compounds.
View Article and Find Full Text PDFDefense guard: strategies of plants in the fight against Cadmium stress.
Adv Biotechnol (Singap)
December 2024
State Key Laboratory of Biocontrol, Guangdong Provincial Key Laboratory of Plant Stress Biology, School of Agriculture and Biotechnology, Shenzhen Campus of Sun Yat-Sen University, Sun Yat-Sen University, Shenzhen City, 518107, China.
Soil Cadmium (Cd) contamination is a worldwide problem with negative impacts on human health. Cultivating the Cd-Pollution Safety Cultivar (Cd-PSC) with lower Cd accumulation in edible parts of plants is an environmentally friendly approach to ensure food security with wide application prospects. Specialized mechanisms have been addressed for Cd accumulation in crops.
View Article and Find Full Text PDFTargeted inhibition of PqsR in Pseudomonas aeruginosa PAO1 quorum-sensing network by chalcones as promising antibacterial compounds.
Mol Biol Rep
January 2025
Department of Pharmaceutical Control, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran.
Background: Pseudomonas aeruginosa's inherent and adapted resistance makes this pathogen a serious problem for antimicrobial treatments. Furthermore, its biofilm formation ability is the most critical armor against antimicrobial therapy, and the virulence factors, on the other hand, contribute to fatal infection and other recalcitrant phenotypic characteristics. These capabilities are harmonized through cell-cell communication called Quorum Sensing (QS), which results in gene expression regulation via three major interconnected circuits: las, rhl, and pqs system.
View Article and Find Full Text PDFTopical Medications for Chronic Itch in Older Patients: Navigating a Pressing Need.
Drugs Aging
January 2025
Department of Dermatology, University of Texas Health Science Center, 7979 Wurzbach Rd, Grossman 3rd FL, San Antonio, TX, 78229, USA.
Chronic itch in older patients is a common problem, with a significant impact on quality of life. Chronic itch in the older population may be attributable to several causes, such as age-related changes, skin conditions, systemic conditions, medications, and psychological conditions. Given the complexity of itch in this population, comorbidities, and polypharmacy in most geriatric patients, treating chronic itch can be challenging for healthcare providers.
View Article and Find Full Text PDFReview of the potential of bioactive compounds in seaweed to reduce histamine formation in fish and fish products.
Ital J Food Saf
January 2025
Department Fishery Product Technology, Faculty of Fisheries and Marine Science, Brawijaya University, Malang, East Java.
The formation of histamine in food is influenced by temperature, and histamine growth can be inhibited by maintaining a cold chain. However, simply relying on temperature control is insufficient, as certain bacteria can produce the enzyme histidine decarboxylase even at temperatures below 5°C. To address this issue, various methods, such as modified atmosphere packaging, high hydrostatic pressure, and irradiation, have been developed to control histamine in fishery products.
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