Hemophilia

DPP-IV inhibitory peptides from highland barley via machine learning and multi-scale validation.

Highland barley has shown potential in regulating blood glucose and may serve as a natural source of dipeptidyl peptidase-IV (DPP-IV) inhibitors. In this study, machine learning (Gradient Boosting Decision Trees) and virtual screening were employed to identify DPP-IV inhibitory peptides from highland barley protein. Three candidate peptides (FPQPQ, FPRPF, and YGGWN) had IC of 675.47, 766.80, and 2...

In Silico Screening of Small Molecule Inhibitors for Amyloid-β Aggregation.

The self-aggregation of amyloid-β (Aβ) into fibrils is a hallmark of Alzheimer's disease (AD). Inhibition of Aβ aggregation with small molecule compounds represents a promising therapeutic strategy for AD. However, designing effective ligands is challenging due to the lack of structural information about the binding target. In this work, ligand-based virtual screening for Aβ aggregation inhibitors...

Artificial intelligence-enabled opportunistic identification of immune checkpoint inhibitor-related adverse events using [F]FDG PET/CT.

Factors Influencing the Binding of HIV-1 Protease Inhibitors: Insights from Machine Learning Models.

HIV-1 protease inhibitors are crucial for antiviral therapies targeting acquired immunodeficiency syndrome (AIDS). Hundreds of HIV-1 protease complexe...

Gasdermin D drives the systemic storm and mortality after trauma with hemorrhage to a greater degree in biological females than males.

Severe injury accompanied by hemorrhagic shock triggers an early release of cell constituents into the circulation, referred to as the systemic storm....

Drug repurposing to identify potential FDA-approved drugs targeting three main angiogenesis receptors through a deep learning framework.

Tumor cell survival depends on the presence of oxygen and nutrients provided by existing blood vessels, particularly when cancer is in its early stage...

In-silico evaluation of Azadirachta indica-derived Daucosterol against key viral proteins of Ebolavirus using ML and MD simulations approach.

Ebola virus disease (EVD) is an acute life-threatening disease caused by highly pathogenic Ebolavirus (EBOV), with reported case fatality rates reachi...

CDKN1A and EGR1 are key genes for endoplasmic reticulum stress-induced ferroptosis in MASH.

Metabolic dysfunction-associated steatohepatitis (MASH) is a complex liver disease whose pathogenesis involving endoplasmic reticulum (ER) stress and ...

Oral ENPP1 inhibitor designed using generative AI as next generation STING modulator for solid tumors.

Despite the STING-type-I interferon pathway playing a key role in effective anti-tumor immunity, the therapeutic benefit of direct STING agonists appe...

Investigating the Mechanisms of Pazopanib-induced Hepatotoxicity: Insights from Network Toxicology, Microarray Analysis, and Machine Learning.

BACKGROUND: Pazopanib is an oral multi-kinase inhibitor that is effective in treating various tumors. However, it is commonly associated with hepatoto...

Design, synthesis, and evaluation of triazolo[1,5-a]pyridines as novel and potent α‑glucosidase inhibitors.

α-Glucosidase is a key enzyme responsible for controlling the blood glucose, making a pivotal target in the treatment of type 2 diabetes mellitus. Pre...

Metabolic reprogramming and immune microenvironment profiling in clear cell renal cell carcinoma: implications for prognosis, targeted therapy, and drug resistance.

Clear cell renal cell carcinoma (ccRCC) is the most prevalent form of kidney cancer, distinguished by intricate interactions between metabolic reprogr...

Discovery of novel potential 11β-HSD1 inhibitors through combining deep learning, molecular modeling, and bio-evaluation.

11β-Hydroxysteroid dehydrogenase type 1 (11β-HSD1) has been shown to play an important role in the treatment of impaired glucose tolerance, insulin re...

A multi-faceted discovery strategy identifies functional antibodies binding to cysteine-rich domain 1 of hDKK1 for cancer immunotherapy via Wnt non-canonical pathway.

Wnt signaling is important in embryonic development and tumorigenesis. These biological effects can be exerted by the activation of the β-catenin-depe...

HR-SC-an academic-developed machine learning framework to classify HRD-positive ovarian cancer patients and predict sensitivity to olaparib.

BACKGROUND: High-grade serous ovarian cancer (OC) patients with defects in the homologous recombination repair (HRR) pathway benefit from poly (ADP-ri...

Investigation of the Significance of Blood Signatures on Sepsis-Induced Acute Lung Injury in Sepsis Within 24 Hours.

Sepsis is an infection-induced dysregulated cellular response that leads to multiorgan dysfunction. As a time-sensitive condition, sepsis requires pr...

Development and validation of a nomogram for differentiating immune checkpoint inhibitor-related pneumonitis from pneumonia in patients undergoing immunochemotherapy: a multicenter, real-world, retrospective study.

BACKGROUND: Immune Checkpoint Inhibitor-related Pneumonitis (CIP) exhibits high morbidity and mortality rates in the real world, often coexisting with...

MRI Radiomics to Predict Early Treatment Response to TACE Combined with Lenvatinib Plus a PD-1 Inhibitor for Hepatocellular Carcinoma with Portal Vein Tumor Thrombus.

PURPOSE: To develop and validate a predictor for early treatment response in hepatocellular carcinoma (HCC) patients accompanied by portal vein tumor ...

Deciphering the Immunomodulatory Function of GSN Inflammatory Cancer-Associated Fibroblasts in Renal Cell Carcinoma Immunotherapy: Insights From Pan-Cancer Single-Cell Landscape and Spatial Transcriptomics Analysis.

The heterogeneity of cancer-associated fibroblasts (CAFs) could affect the response to immune checkpoint inhibitor (ICI) therapy. However, limited stu...

SFTSV induces liver ferroptosis through m6A-related ferritinophagy.

Severe fever with thrombocytopenia syndrome (SFTS) is a widely prevalent infectious disease caused by severe fever with thrombocytopenia syndrome viru...