GutBugDB: A Web Resource to Predict the Human Gut Microbiome-Mediated Biotransformation of Biotic and Xenobiotic Molecules

In recent years, the significant role of the human gut microbiota (HGM) in the metabolism of drugs and nutrients has gradually been recognized. The gut microbiota not only affects the bioavailability of orally administered drugs but also participates in the biotransformation of drugs and bioactive molecules through its metabolic enzymes, thereby in...

SP-DTI: Subpocket-Informed Transformer for Drug–Target Interaction Prediction

Academic Background Drug-Target Interaction (DTI) prediction is a critical step in drug discovery, significantly reducing the cost and time of experimental screening. However, despite the advancements in deep learning that have improved the accuracy of DTI prediction, existing methods still face two major challenges: lack of generalizability and ne...

Novel Endocytosis Inhibitors Block Entry of HIV-1 Tat into Neural Cells

Novel Endocytosis Inhibitors Block HIV-1 Tat Protein Entry into Neural Cells Academic Background HIV-1 (human immunodeficiency virus type 1) infection not only leads to immune system exhaustion but is also closely associated with HIV-associated neurocognitive disorders (HAND). Although combined antiretroviral therapy (cART) has significantly improv...

Mechanistic Insights into Inactivating Mutations in the Proton-Coupled Folate Transporter (SLC46A1), and Compensatory Mutations that Restore Function

Research Background and Problem Statement Hereditary Folate Malabsorption (HFM) is a rare autosomal recessive disorder characterized by impaired intestinal absorption of folates and hindered transport across the choroid plexus into cerebrospinal fluid. This disease is caused by inactivating mutations in the gene encoding the Proton-Coupled Folate T...

Homeostasis and Metabolism of Iron and Other Metal Ions in Neurodegenerative Diseases

Homeostasis and Metabolism of Iron and Other Metal Ions in Neurodegenerative Diseases Academic Background Neurodegenerative diseases (such as Parkinson’s disease, Alzheimer’s disease, amyotrophic lateral sclerosis, and Huntington’s disease) are characterized by neuronal death and gradual loss of function, leading to the deterioration of cognitive, ...

Machine Learning and Confirmatory Factor Analysis Show that Buprenorphine Alters Motor and Anxiety-like Behaviors in Male, Female, and Obese C57BL/6J Mice

In recent years, with the global increase in drug abuse, particularly opioids, scientists have become increasingly focused on the neurobehavioral effects of such substances. Among them, buprenorphine, an opioid, is widely used for medication-assisted treatment of opioid addiction. However, beyond its analgesic and addiction treatment effects, bupre...

Hybridization-Based Discovery of Novel Quinazoline-2-Indolinone Derivatives as Potent and Selective PI3Kα Inhibitors

Research and Development of a Novel PI3Kα Inhibitor: Molecular Hybridization Technology Leads to a Breakthrough in Lung Cancer Treatment Academic Background Cancer, particularly non-small cell lung cancer (NSCLC), is the second leading cause of death worldwide. Currently, chemotherapy is the primary treatment method, but due to its lack of targetin...

A Deep Learning Approach for Rational Ligand Generation with Toxicity Control

Latest Research on Deep Learning Applied to Target Protein Ligand Generation: Proposal and Validation of the DeepBlock Framework Background and Research Problem In the drug discovery process, finding ligand molecules that bind to specific proteins has always been a core objective. However, current virtual screening methods are often limited by the ...

Glepaglutide-Loaded Foam for Inducing Mucosal Healing in Inflammatory Bowel Disease Treatment

A Novel Rectal Foam Formulation for the Treatment of Inflammatory Bowel Disease In recent years, the incidence of inflammatory bowel disease (IBD), characterized by mucosal damage, chronic inflammation, and recurrent episodes, has been steadily rising, yet ideal therapeutic solutions remain elusive. Researchers have identified a 33-amino acid pepti...

Efficacy and Cellular Mechanism of Biomimetic Marine Adhesive Protein-Based Coating Against Skin Photoaging

Research Advances on the Use of Biomimetic Marine Adhesive Protein Coating for Skin Photoaging Prevention Skin photoaging is a significant global health issue, particularly for individuals exposed to prolonged ultraviolet (UV) radiation in outdoor environments. Its manifestations include a reduction in collagen, increased wrinkles, loss of skin ela...