AIMC Topic: Biological Products
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In Silico Design and Analysis of Cyanobacterial Pseudo Natural Products.
Journal of natural products
Jul 16, 2025
Marine cyanobacteria produce natural products (NPs) with potent and selective bioactivity against a broad range of diseases. However, like many NPs, most exhibit poor drug-like physicochemical properties, and the discovery of structurally novel NPs i...
Integrated machine learning and deep learning-based virtual screening framework identifies novel natural GSK-3β inhibitors for Alzheimer's disease.
Journal of computer-aided molecular design
Jul 16, 2025
Alzheimer's disease (AD) is a progressive neurodegenerative disorder lacking effective therapies. Glycogen synthase kinase-3β (GSK-3β), a key regulator of Aβ aggregation and Tau hyperphosphorylation, has emerged as a promising therapeutic target. Her...
Machine learning-based QSAR and structure-based virtual screening guided discovery of novel mIDH1 inhibitors from natural products.
Journal of computer-aided molecular design
Jul 8, 2025
Mutations in isocitrate dehydrogenase 1 (IDH1) have been widely observed in various tumors, such as gliomas and acute myeloid leukemia, and therefore has become one of the current research focal points. Therefore, it is crucial to find inhibitors tha...
The latest advances with natural products in drug discovery and opportunities for the future: a 2025 update.
Expert opinion on drug discovery
Jun 5, 2025
INTRODUCTION: The landscape of drug discovery is rapidly evolving, with natural products (NPs) playing a pivotal role in the development of novel therapeutics. Despite their historical significance, challenges persist in fully harnessing their potent...
DFT_ANPD: A dual-feature two-sided attention network for anticancer natural products detection.
Computers in biology and medicine
Jun 3, 2025
The exploration of anticancer drugs has aimed at more effective, adaptable, and less harmful treatments, with natural products pivotal in cancer research. In addition to experimental techniques for identifying anticancer drug candidates, computationa...
READRetro web: A user-friendly platform for predicting plant natural product biosynthesis.
Molecules and cells
Jun 2, 2025
Natural products (NPs), a fundamental class of bioactive molecules with broad applicability, are valuable sources in pharmaceutical research and drug discovery. Despite their significance, the large-scale production of NPs is often limited by their a...
Advances in brain-targeted delivery strategies and natural product-mediated enhancement of blood-brain barrier permeability.
Journal of nanobiotechnology
May 26, 2025
The blood-brain barrier (BBB) represents a formidable challenge in the treatment of neurological disorders, as it restricts the passage of most therapeutic agents into the central nervous system (CNS). Research in brain-targeted delivery strategies a...
Empowering natural product science with AI: leveraging multimodal data and knowledge graphs.
Natural product reports
Apr 16, 2025
Artificial intelligence (AI) is accelerating how we conduct science, from folding proteins with AlphaFold and summarizing literature findings with large language models, to annotating genomes and prioritizing newly generated molecules for screening u...
A Review of In Silico Approaches for Discovering Natural Viral Protein Inhibitors in Aquaculture Disease Control.
Journal of fish diseases
Mar 20, 2025
Viral diseases pose a significant threat to the sustainability of global aquaculture, causing economic losses and compromising food security. Traditional control methods often demonstrate limited effectiveness, highlighting the need for alternative a...
Personalized prediction of psoriasis relapse post-biologic discontinuation: a machine learning-driven population cohort study.
The Journal of dermatological treatment
Mar 19, 2025
BACKGROUND: Identifying the risk of psoriasis relapse after discontinuing biologics can help optimize treatment strategies, potentially reducing relapse rates and alleviating the burden of disease management.
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