AI in forensic toxicology: Machine learning for detection, classification, and prediction of Illicit substances
Available online 25 September 2026
Artificial intelligence (AI) and machine learning (ML) are increasingly transforming forensic toxicology by improving the detection, classification, and interpretation of illicit substances. Conventional...
Application of neutrophil extracellular traps-related genes to construct an in silico prognostic model for osteosarcoma
Available online 24 September 2026
The crosstalk between cancer and Neutrophil Extracellular Traps (NETs) is increasingly recognized, yet the prognostic implications of NETs-related genes in osteosarcoma (OS) still require further elucidation....
Virtual screening of Nox4 Inhibitors for knee osteoarthritis: A study combining AI-based virtual screening with computer-aided strategies
Available online 24 September 2026
Knee osteoarthritis (KOA) is a common degenerative joint disease whose pathogenesis is closely associated with reactive oxygen species (ROS)-induced synovial cell death. As a key pro-oxidant enzyme,...
Carvacrol ameliorates doxorubicin-induced human cardiomyocyte apoptosis, inflammation and ferroptosis by inhibiting histone deacetylase 6
Available online 23 September 2026
Emerging evidence indicates that ferroptosis acts as a primary driver in doxorubicin (DOX)-triggered cardiomyocyte damage. Carvacrol, a natural monoterpenoid phenol, is recognized for its potent antioxidant...
Apolipoprotein C1 and C-X-C motif chemokine receptor 4 as myeloid-associated candidate genes in glioblastoma: An integrative transcriptomic analysis
Available online 23 September 2026
Tumor-associated myeloid cells, including resident microglia and recruited macrophages, are major components of the tumor microenvironment in glioblastoma (GBM). This study aimed to identify myeloid-associated...
Synthesis, In Silico Approaches and In Vitro Evaluation of Pyrazoline Schiff Base Derivatives as Antimicrobial Agents
Available online 22 September 2026
Pyrazoline Schiff bases are nitrogenous heterocyclic compounds with biological properties for potential development as antimicrobial agents. In this study, new pyrazoline-containing heterocyclic compounds...
Ephedrine ameliorates systemic sclerosis-associated vascular injury by facilitating macrophage efferocytosis through MerTK-ERK1/2
Available online 22 September 2026
Systemic sclerosis (SSc) is characterized by persistent inflammatory disorders, impaired cellular function, and vascular damage. The aim of this study is to elucidate whether ephedrine activates the...
Quercetin, the primary active component of Uncaria Rhynchophylla, alleviates atopic dermatitis through the PPARD pathway: Integrating network pharmacology prediction and experimental validation
Available online 22 September 2026
Atopic dermatitis (AD) is a common inflammatory skin disease with a complex pathogenesis. Natural flavonoids exhibit potent anti-inflammatory and antioxidant properties in many human disorders. This...
Mechanistic study of cortex mori radices on alleviating inflammatory response in fibroblasts and enhancing lung function in COPD
Available online 22 September 2026
Chronic obstructive pulmonary disease (COPD) is a heterogeneous condition defined by persistent airway inflammation. While traditional Chinese medicine offers distinct advantages in its management,...
An eight-gene riskscore model and computational evaluation of the PDGFRB-imatinib interaction in HBV-positive hepatocellular carcinoma
Available online 22 September 2026
Chronic hepatitis B virus (HBV) infection causes persistent liver injury, fibrosis, cirrhosis, and hepatocarcinogenesis. Because hepatocellular carcinomas (HCCs) of different etiologies have distinct...
Integrated In-Silico Investigation of Pyrazolo[1,5-a]pyrimidine Scaffolds as Novel PIM-1 Kinase Inhibitor
Available online 22 September 2026
To identify the key structural and pharmacophoric features required for PIM-1 kinase inhibition with discovery of new PIM-1 kinase inhibitors based on pyrazolo[1,5-a]pyrimidine scaffolds by a combined...
Computational assessment of a predicted linarin-TNF interaction relevant to inflammation-associated oxidative stress: Network pharmacology, molecular docking, and molecular dynamics simulations
Available online 21 September 2026
Oxidative stress contributes to the progression of many chronic disorders, yet the direct molecular targets of natural antioxidants remain insufficiently defined....
Mechanism of cinobufagin in regulating pain-associated mediators in hepatocellular carcinoma based on network pharmacology and machine learning
Available online 18 September 2026
Hepatocellular carcinoma (HCC) is the most common type of liver cancer, and advanced patients often suffer from cancer pain associated with inflammatory and nociceptive factors. Cinobufagin, a steroid...
In silico studies into the therapeutic potential of organophosphorus compounds against Alzheimer's disease
Available online 17 September 2026
Alzheimer’s disease (AD) is the most prevalent form of dementia in the elderly and is characterized by a progressive decline in cognitive function. Therapeutic strategies for AD have largely been guided...
Zexieyin formula ameliorates hyperlipidemia by modulating lipid metabolism via the proto-oncogene tyrosine-protein kinase Src signaling
Available online 17 September 2026
To investigate the therapeutic effects of Zexieyin formula (ZY) on hyperlipidemia (HLP) and elucidate its underlying molecular mechanisms, with a focus on the proto-oncogene tyrosine-protein kinase...
Xieyu Jiedu Granules attenuate sepsis-associated acute kidney injury through ESR1: An integrative study combining transcriptomics, network pharmacology, machine learning, and molecular docking
Available online 16 September 2026
Sepsis-associated acute kidney injury (SA-AKI) is a devastating disease. Xieyu Jiedu Granules (XYJDGs) are a Traditional Chinese medicine (TCM) formulation, and their constituents possess anti-inflammatory,...
In vitro protein denaturation inhibitory activity of newer generation pyrimidine schiff base derivatives: Synthesis, chemical characterization, molecular docking, MD simulation, DFT, ADMET, and bioactivity
Available online 16 September 2026
Many chronic diseases worldwide are associated with inflammation. It is well known that pyrimidine and Schiff-base scaffolds display a wide variety of pharmacological properties, including antiinflammatory....
Salidroside suppresses keloid fibroblast activation via SPHK1 as a downstream effector: Bioinformatics and in vitro experimental evidence
Available online 15 September 2026
Keloid disease is a fibroproliferative disorder with limited effective treatments. Salidroside has garnered significant attention for its diverse pharmacological properties....
Protective effects of Psidium guajava leaves against waterborne diisononyl phthalate toxicity and on growth of Labeo rohita
Available online 15 September 2026
The impact of environmental pollutants on aquatic life is a growing concern that has received considerable attention in recent years. Among these pollutants, phthalates such as Diisononyl Phthalate...
E2F8 silencing improves osimertinib sensitivity in lung adenocarcinoma cells by inhibiting DDA1 expression
Available online 15 September 2026
Osimertinib resistance poses a significant clinical challenge in lung adenocarcinoma (LUAD). While DET1 and DDB1 associated 1 (DDA1) is implicated in lung tumor progression, its specific role and regulatory...
Fritillaria thunbergii total alkaloids suppress cisplatin-resistant lung adenocarcinoma through PI3K/Akt/mTOR–ULK1-mediated autophagy: Experimental and in silico validation
Available online 15 September 2026
Lung adenocarcinoma shows poor prognosis after resistance to cisplatin and targeted therapies, partly due to impaired autophagy via the PI3K/Akt/mTOR pathway. Total alkaloids of Fritillaria thunbergii...
Centella asiatica seed extracts induce apoptosis in A549 cancer cells via the generation of ROS and suppression of IL-33 expression
Available online 14 September 2026
The current study aimed to investigate the anti-lung-cancer activity of various extracts of Centella asiatica (CA) seeds in the A549 cancer cell line. CA has shown anticancer properties through the...
Green synthesis of edible mushroom derived Streptomyces MOG-03 AND MOG-05 secondary metabolite, with high antimicrobial and anticancer activity
Available online 14 September 2026
Edible mushroom-associated Streptomyces strains may provide sustainable sources of antimicrobial and anticancer metabolites....
Exploring the mechanism of curcumin in the treatment of thyroid cancer based on network pharmacology and molecular docking
Available online 11 September 2026
Curcumin, a polyphenolic compound from Curcuma longa L., exhibits anticancer effects in various tumors. However, a systematic understanding of its multi-target molecular mechanisms in thyroid cancer...
Preliminary clinical observations of firsekibart in patients with gout and multisystem comorbidities who had limited conventional treatment options: A retrospective case series
Available online 11 September 2026
Evidence regarding firsekibart, a fully human anti-interleukin-1β monoclonal antibody, in patients with gout, complex multisystem comorbidities, and few conventional treatment options remains limit...