Nanoparticle-mediated drug delivery may be a promising alternative to traditional chemotherapy of high systemic toxicity. Tumor tissue architecture poses a challenge to delivery of nanoparticles. Small and spherical nanoparticles have poor adherence to the tumor vasculature, while larger and more eccentric ones create high heterogeneity in tissue-to-drug exposure. In previous work, we quantified these tradeoffs using numerical optimization. In this study, we demonstrate that simultaneous delivery of multiple nanoparticle designs can enhance drug distribution in the cancerous tissue without compromising nanoparticle tumoral accumulation. We formulate and solve optimization problems to find the optimal constituent of the heterogeneous injection in terms of nanoparticle design diversity that increases drug distribution by 14%.
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http://dx.doi.org/10.1115/1.4047657 | DOI Listing |
J Chem Inf Model
January 2025
Department of Chemistry, New York University, New York, New York 10003, United States.
Molecular Docking is a critical task in structure-based virtual screening. Recent advancements have showcased the efficacy of diffusion-based generative models for blind docking tasks. However, these models do not inherently estimate protein-ligand binding strength thus cannot be directly applied to virtual screening tasks.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Discovery Biology, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Mölndal, 43150, Sweden.
Targeted delivery of therapeutic agents is a persistent challenge in modern medicine. Recent efforts in this area have highlighted the utility of extracellular vesicles (EVs) as drug carriers, given that they naturally occur in bloodstream and tissues, and can be loaded with a wide range of therapeutic molecules. However, biodistribution and tissue tropism of EVs remain difficult to study systematically.
View Article and Find Full Text PDFToxicol Res (Camb)
February 2025
Department of General Practice, Yijishan Hospital, First Affiliated Hospital of Wannan Medical College, Jinghu District, Wuhu, Anhui Province 241000, China.
Intestinal injury is an important complication of burn sepsis with limited therapeutic choices. Phellodendrine is a promising compound for gastrointestinal inflammatory diseases and is extracted from the traditional Chinese medicine phellodendron bark. The study aimed to explore the role of phellodendrine against oxidative stress and autophagy in burn sepsis-induced intestinal injury.
View Article and Find Full Text PDFChem Biodivers
January 2025
Shanghai Pudong New Area Public Interest Hospital: Shanghai Pudong New Area Gongli Hospital, Department of Pharmacy, 219 Miaopu Road, Shanghai, CHINA.
Natural products (NPs) play a crucial role in drug discovery, with over 30% of recent FDA-approved drugs derived from them. Plants from the genus Goniothalamus, belonging to the Annonaceae family, have garnered significant interest as potential sources of active lead compounds. Over the past five decades, researchers have isolated 357 compounds from Goniothalamus species (GCs), which exhibit a wide range of pharmacological properties, including cytotoxicity, antibacterial, antifungal, antiplasmodial, antioxidant, and other activities.
View Article and Find Full Text PDFPlant Mol Biol
January 2025
School of Pharmacy, Chengdu University of Traditional Chinese Medicine, Chengdu, Sichuan, China.
Various biological processes are interconnected in plants. Transcription factors (TFs) often act as regulatory hubs to regulate plant growth and responses to stress by integrating various biological pathways. Despite extensive studies on TFs functions in various plant species, our understanding of the details of TFs regulation remains limited.
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