Hemophilia

Bridging Trials and Real Life in Fixed-Duration BTKi-Venetoclax for CLL: A Delphi-Enhanced Synthesis Incorporating Artificial Intelligence (AI) Benchmarks.

BACKGROUND: Optimal patient selection for the most effective BTK inhibitor (BTKi) partner of venetoclax in fixed-duration (FD) BTKi-venetoclax regimens for chronic lymphocytic leukemia (CLL) remains uncertain. This uncertainty largely reflects trial populations that are younger and fitter than many real-world patients, which may limit generalizability to older individuals or those with multiple co...

Interpretable machine learning and molecular simulations identify natural pancreatic lipase inhibitors and hydrophobic hotspot residues.

Pancreatic lipase (PL) is a validated peripheral target for limiting dietary fat absorption, yet structurally diverse natural inhibitors remain scarce. We assembled a PL inhibitor dataset from public resources and trained a random-forest classifier using PubChem fingerprints (test AUC = 0.9134) to prioritize a natural product library. After drug-likeness and toxicity filtering, docking, and experi...

Deep learning analysis of soybean cyst nematode effectors to proven soybean resistance genes and homolog identification in the sugar beet-sugar beet root maggot plant pathosystem.

Sugar beet (Beta vulgaris ssp. vulgaris) is one of two plants from which sugar is broadly produced, accounting for 55% of U.S. sugar ($1B, U.S.) and 3...

High-throughput strategy for targeting MDM2 in uveal melanoma to reverse radiation therapy resistance.

Uveal melanoma (UM) presents a formidable clinical challenge due to its marked resistance to radiotherapy. In this study, an integrative strategy comb...

Genomic Determinants of Response to Alpelisib Plus Fulvestrant in the SOLAR-1 Trial.

BACKGROUND: Approximately 40% of patients with hormone receptor-positive (HR+), human epidermal growth factor receptor 2-negative (HER2-), advanced br...

Predictive bioactivity modeling and structural binding analysis for the identification of potential SMYD3 modulators.

SMYD3 is a lysine methyltransferase involved in epigenetic regulation and oncogenic transcription, making it an attractive yet challenging therapeutic...

Thrombosis after surgical splenectomy - why, in whom and can we prevent it?

Splenectomy remains a common operation performed in the setting of trauma, haematological disease, malignancy and diagnostic purposes. Contemporary ev...

Deep learning analysis of sugar beet (Beta vulgaris ssp vulgaris) protease inhibitors interacting with identified trypsins from its primary pathogen, the sugar beet root maggot Tetanops myopaeformis.

Beta vulgaris ssp. vulgaris (sugar beet) is one of two plants globally from which sugar is widely produced, accounting for 55% of U.S. sugar $1B (U.S....

irAE-GPT: leveraging large language models to identify immune-related adverse events in electronic health records and clinical trial datasets.

BACKGROUND: Large language models (LLMs) have emerged as transformative technologies, revolutionising natural language understanding and generation ac...

Is scaffold hopping possible in machine learning using the electronic-structure-informatics (ESI) descriptor set? an application to natural-product-based drug discovery of α-glucosidase inhibitors.

The electronic-structure informatics (ESI) descriptor set was applied to discover novel α-glucosidase inhibitors from a natural product (NP) database....

Identification of potential inhibitors of 3‑mercaptopyruvate sulfurtransferase with a deep-learning based screening of natural products.

3-Mercaptopyruvate sulfurtransferase (3-MST), a key enzyme in sulfur metabolism, has recently gained attention as a potential anticancer target. Howev...

Clinical and immunological significance of FOXO1 as a biomarker of improved response to immune checkpoint plus tyrosine kinase inhibitor therapy in metastatic renal cell carcinoma.

BACKGROUND: Predicting response to immune checkpoint inhibitor plus tyrosine kinase inhibitor (IO+TKI) therapy in metastatic renal cell carcinoma (mRC...

Exploratory prediction model for deep vein thrombosis in intensive care patients after anticoagulation therapy: An observational study.

BACKGROUND: Despite low-molecular-weight heparin (LMWH) prophylaxis, the incidence of deep vein thrombosis (DVT) remains high in intensive care unit (...

Artificial Intelligence-Guided Optimization of Hyaluronic Acid-Coated Liposomal Linagliptin for Targeted Management of Polycystic Ovary Syndrome.

Linagliptin, a DPP-4 inhibitor commonly used in the management of diabetes mellitus, has shown potential activity in polycystic ovary syndrome (PCOS)....

Blood plasma proteomic biomarkers for forecasting transition to psychosis in an Asian cohort.

Plasma proteomic biomarkers hold significant promise for enhancing clinical assessments and improving early detection of psychosis conversion; however...

Isoginkgetin protects against degeneration of ALS motor neurons via regulating the GSK-3β-TFEB signaling axis.

Lysosomal dysfunction is a core pathological driver of neurodegenerative diseases such as amyotrophic lateral sclerosis (ALS). Transcription factor EB...

Multi-omics and machine learning reveal a critical mediator of PRKCA in quercetin-mediated protection against Sarcopenia.

BACKGROUND: Sarcopenia, the age-associated loss of skeletal muscle mass and function, poses a growing public health challenge. Although dietary flavon...

Endothelial cells recruit pro-inflammatory macrophage clusters via app-Cd74 exacerbating ICI-associated myocarditis.

Immune checkpoint inhibitor-related myocarditis (ICI-myocarditis) is a rare but highly threatening adverse reaction, and its pathogenesis is still unc...

AI-driven body composition atlas reveals its association with NSCLC immunotherapy outcome and molecular background: a multicenter study.

Although previous studies have linked body composition to immunotherapy efficacy, comprehensive multidimensional analyses with biological explanations...

AI-MedCraft: A Strategy-Driven AI Platform for Multi-Objective Molecular Design.

Small-molecule drug discovery requires balancing potency, selectivity, solubility, safety, and synthetic feasibility, among other interdependent prope...