The multi-phenotype genome-wide association study and integrated transcriptome analysis identified key genes for sarcopenia and nominated Buspirone as a potential repurposing candidate
Available online 30 June 2026
Sarcopenia is characterized by progressive loss of skeletal muscle mass and function, but the current diagnosis relies mainly on functional tests and imaging. This study aimed to identify genetically...
A taurine metabolism–related gene signature for prognostic stratification and prediction of immunotherapy response in acute myeloid leukemia
Available online 30 June 2026
Taurine participates in redox and immune regulation, but the role of taurine metabolism–related genes (TMRGs) in acute myeloid leukemia (AML) is unclear. We aimed to define TMRG patterns in AML and...
A computational insight into the bioactivity of the phytochemical angustine in multi-targeting six major targets of Alzheimer’s disease
Available online 25 June 2026
Alzheimer’s disease (AD) is a neurodegenerative disorder of the brain and is the most prevalent form of dementia. It is predicted to affect approximately 139 million people worldwide by 2050. The current...
Discovery of anti-rheumatoid arthritis active components from Salvia miltiorrhiza and their potential dual "Anti-inflammatory and Cardiovascular Protective" mechanisms via a multi-scale computational strategy
Available online 24 June 2026
Rheumatoid arthritis (RA) is a chronic autoimmune disease characterized by articular inflammation and a significantly increased risk of cardiovascular disease (CVD) comorbidities. Discovering dual-action...
Potential mechanisms underlying kaempferol-promoted osteoblast proliferation and osteogenic differentiation: A network pharmacology and experimental validation study
Available online 24 June 2026
Osteoporosis (OP) is an age-related condition that primarily affects middle-aged and elderly individuals, which increases the risk of fractures and reduces quality of life. The therapeutic potential...
Evaluation of the medicinal properties of Solanum nigrum L.: A composite herb with potential health benefits
Available online 24 June 2026
Solanum nigrum L., a potent medicinal herb commonly known as Makoi or black nightshade, belongs to the family Solanaceae, exhibiting wider distribution from tropics to temperate....
Discovery of novel GLUT1 inhibitors for lung cancer therapy via structure-based virtual screening and molecular dynamics simulations
Available online 24 June 2026
Glucose transporter 1 (GLUT1) is closely associated with tumor glucose metabolism and is a potential therapeutic target for lung cancer....
Biohybrid nanocarriers for precision drug delivery: Integrating biological interfaces with synthetic nanotechnology for targeted and responsive therapeutics
Available online 24 June 2026
Biohybrid nanocarriers have emerged as an advanced platform in precision drug delivery by integrating biological interfaces with synthetic nanotechnology to enhance targeting efficiency and therapeutic...
Role of acetylcholinesterase inhibitors in the management of Alzheimer's disease
Available online 24 June 2026
Alzheimer's disease, a neurodegenerative disorder, necessitates improved treatment options due to limitations and side effects of current acetylcholinesterase inhibitors (AChEIs)....
Based on network pharmacology, molecular docking and experimental verification, the research on the mechanism of action of Jianpi Xiaoshi Tang in treating pediatric anorexia syndrome was conducted
Available online 23 June 2026
Infantile anorexia (IA) is a common eating disorder in infants and young children. Jianpi Xiaoshi Tang (JPXST), a traditional Chinese herbal formula, plays a key role in treating IA, but its mechanism...
Calcium-dependent neurotoxicity of lidocaine: Mechanistic insights and future directions
Available online 23 June 2026
Nanodelivery systems for brain-targeted delivery of traditional chinese medicine bioactives in neurodegenerative diseases: Therapeutic mechanisms, translational challenges, and ethical perspectives
Available online 23 June 2026
Neurodegenerative diseases (NDDs) pose a severe global healthcare burden due to progressive neurodegeneration and limited therapeutic options. The blood-brain barrier (BBB) is a major obstacle limiting...
T cell activation and TCRs as an immunotherapeutic approach in cancer
Available online 23 June 2026
Over time, traditional approaches to cancer treatment have become inadequate. In addition, these treatment approaches have significant challenges in terms of patient comfort. In this respect, approaches...
Integrated experimental and computational investigation of 4-quinolone hybrids as promising antihistaminic candidates for allergic asthma
Available online 23 June 2026
Histamine plays a critical role as a mediator in allergic asthma. To target this pathway, a series of 4-quinolone hybrids was designed by combining two pharmacophores, quinolone and piperazine, to inhibit...
Ivermectin B1a sensitizes TNBC cells to cyclophosphamide therapy in vitro by targeting PITRM1/SLC7A11-mediated ferroptotic pathway
Available online 22 June 2026
Cyclophosphamide (CTX) resistance remains a major clinical challenge in the treatment of breast cancer (BRCA), particularly in triple-negative breast cancer (TNBC). Ivermectin B1a (IVM-B1a), the active...
Integrating bioinformatics and experimental validation identifies MELK as a key target of Daurisoline against hepatocellular carcinoma
Available online 22 June 2026
Daurisoline (DS), a natural alkaloid, shows promise against hepatocellular carcinoma (HCC), but its precise molecular targets and mechanisms remain incompletely understood. This study aimed to investigate...
Ligand-based pharmacophore modelling, molecular docking, and molecular dynamic studies of VEGFR2 inhibitors
Available online 30 May 2026
Vascular endothelial growth factor receptor-2 (VEGFR-2) is one of the main factors that facilitate the formation of new blood vessels in tumours and has been recognized as a target for treatment of...
Computational strategies for drug discovery in neurodegeneration: Targeting Alzheimer’s and Parkinson’s disease
March 2026
Neurodegenerative diseases such as Alzheimer’s and Parkinson’s remain among the most pressing global health challenges, with more than 50 million people affected worldwide and no curative therapies...
c-di-AMP analogs as allosteric inhibitors against tuberculosis: A 500 ns molecular dynamics study
March 2026
The emergence of multidrug- and extensively drug-resistant tuberculosis remains a major global health challenge. Current therapies are limited by long treatment durations, toxicity, and limited efficacy,...
Synthesis of new metacetamol azo derivatives and assessment of their antibacterial and pharmacological potential
March 2026
Metacetamol, a regioisomer of paracetamol known for its significantly lower toxicity, remains largely underexplored in medicinal chemistry despite its potential as a safer therapeutic scaffold. While...
Biomimetic HCT116 membrane-cloaked nanoplatform for potentiated chemo-immunotherapy of colorectal cancer: Homologous targeting and immunogenic microenvironment remodeling
March 2026
Oxaliplatin (OXP) resistance and an immunosuppressive microenvironment are major hurdles in colorectal cancer (CRC) treatment. This study developed a biomimetic "Trojan Horse" nanoplatform (CCM@CONPs)...
Shenqinlong Qingfei Peiyuan Keli alleviates inflammation, macrophage autophagy and M1 polarization via inhibiting HDAC2-mediated ULK1 deacetylation in pneumococcal pneumonia
March 2026
Pneumococcal pneumonia is the most frequent diagnosis in hospitalized patients with acquired immunodeficiency syndrome due to immunodeficiency. Drugs to alleviate the suffering of this population are...
Astaxanthin alleviates cerebral infarction by targeting MAPK14: insights from network pharmacology, molecular docking, and experimental validation
March 2026
Cerebral infarction (CI) is a serious cerebrovascular disease with high mortality, threatening patients’ lives and health. Astaxanthin (ATX) possesses exceptional antioxidant properties and exerts multiple...
Design and computational evaluation of novel 2,4-thiazolidinedione hybrids for potential anti-inflammatory activity
March 2026
The rising global burden of inflammatory disorders highlights the urgent need for novel anti-inflammatory agents with improved efficacy and reduced adverse effects. Thiazolidin-2,4-dione (2,4-TZD),...
In silico–guided design of 2-methylchroman-3-yl formate derivatives targeting PanC as potential anti-tuberculosis agents
March 2026
Tuberculosis (TB) remains a major global health burden, exacerbated by prolonged therapy and rising drug resistance. Targeting pantothenate synthetase (PanC), an essential enzyme absent in humans, offers...
