Evaluation of Dillenia indica L. phytochemicals in identifying promising anti-nephropathic modulators targeting RAGE/NF-κB signalling in diabetic nephropathy: A computational approach
Available online 1 October 2026
Excess formation of AGEs (Advanced Glycation End Products) and increased AGE-RAGE (Receptor for Advanced Glycation End Products) interaction with resultant activation of NF-κB (Nuclear Factor Kappa...
Shikonin attenuates LPS-induced ferroptosis and inflammatory injury in WI-38 cells with involvement of the METTL3/HMGCR axis
Available online 30 September 2026
Infantile pneumonia (IP) is a common and major health problem in children, with high morbidity and mortality. This study aimed to investigate the protective effects of shikonin against LPS-induced pulmonary...
Deciphering the potential protective mechanisms of amygdalin in ischemic stroke through network pharmacology and in vitro experiments
Available online 26 September 2026
Ischemic stroke (IS) is an acute cerebrovascular disease that seriously endangers human health. Amygdalin, a natural cyanogenic glycoside, has neuroprotective effects, but its protective role, specific...
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...
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...
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...
Meta-analysis of tripterygium glycosides combined with immunosuppressants or glucocorticoids in the treatment of various types of connective tissue disease-interstitial lung disease
August 2026
To systematically evaluate the efficacy of tripterygium glycosides combined with immunosuppressants or glucocorticoids in the treatment of various types of connective tissue disease-interstitial lung...
Integrated network pharmacology and single-cell analysis identify CDK4 and LGALS1 as potential targets for a modified Chaihu Shugan San formula in hepatocellular carcinoma
August 2026
This study aims to systematically elucidate the specific targets and molecular mechanisms by which modified Chaihu Shugan San (mCSS) inhibits hepatocellular carcinoma (HCC) progression to link potential...
Baicalin combined with docetaxel activates PANoptosis-related signaling in MCF-7 cells through the ZBP1-MLKL pathway
August 2026
Overcoming docetaxel resistance in breast cancer requires innovative combination strategies. This study reveals that baicalin synergizes with docetaxel to activate PANoptosis-related multimodal cell...
Exploration of the protective mechanism of peony decoction on DSS-induced NCM460 cell injury based on network pharmacology and in vitro validation
August 2026
Ulcerative colitis (UC) is a chronic, relapsing intestinal inflammatory disease. Although traditional Chinese medicine effectively treats UC, the systematic pharmacological mechanisms and core target...
Chinese library classification: R733.7 document identification code: A meta-analysis of blinatumomab in the treatment of children with acute lymphoblastic leukemia
August 2026
To integrate the evidence on the effectiveness and safety of blinatumomab in the treatment of children with acute lymphoblastic leukemia (ALL) Through meta-analysis so as to provide evidence-based support...
Integrated network pharmacology, transcriptomic analysis, and preliminary cellular validation of Shenqi Dihuang decoction in clear cell renal cell carcinoma
August 2026
Shenqi Dihuang Decoction (SQD), a classical multi-component formula, may exert systems-level antitumor effects; however, its mechanisms in clear cell renal cell carcinoma (ccRCC) remain unclear....
Exploring the mechanism of curcumin in the treatment of thyroid cancer based on network pharmacology and molecular docking
August 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...
Centella asiatica seed extracts induce apoptosis in A549 cancer cells via the generation of ROS and suppression of IL-33 expression
August 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...
Xieyu Jiedu Granules attenuate sepsis-associated acute kidney injury through ESR1: An integrative study combining transcriptomics, network pharmacology, machine learning, and molecular docking
August 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,...
Inhibitory effects of traditional Chinese herbal medicine Bushen decoction on osteoclast differentiation and ovariectomy-induced bone loss
August 2026
Osteoporosis (OP) is a prevalent metabolic bone disease characterized by reduced bone mineral density and compromised skeletal integrity, leading to increased fracture risk in the elderly. Current treatments...
Mechanistic insights into Xuebijing’s therapeutic effects on sepsis-induced cardiomyopathy: Transcriptomics-based approach combining WGCNA, machine learning, network pharmacology, and experimental validation
August 2026
sepsis-induced cardiomyopathy (SIC) is a critical complication of sepsis, contributing significantly to high mortality rates. The underlying molecular mechanisms remain poorly understood, and effective...