Geniposide regulates mitochondrial dynamics and PINK1/Parkin-mediated mitophagy to mitigate myocardial ischemia–reperfusion injury in rats
Available online 18 July 2026
Myocardial ischemia-reperfusion injury (MIRI) significantly restricts the clinical efficacy of reperfusion therapy. Mitochondrial dysfunction represents the primary pathological mechanism underlying...
Based on network pharmacology and molecular docking to explore the mechanism by which Gigantol alleviates high glucose-induced podocyte apoptosis and mitochondrial dysfunction
Available online 17 July 2026
Podocyte dysfunction has been identified as a crucial pathological characteristic of Diabetic Nephropathy (DN). Previous studies have suggested that Gigantol, a bibenzyl compound derived from orchids,...
A network pharmacology-based study on the mechanism of naringin alleviating LPS-induced HK2 cell injury and inhibiting ferroptosis via regulating the PPARγ-p53 pathway
Available online 17 July 2026
Sepsis-associated acute kidney injury (SA-AKI) is a common sepsis complication with complex pathogenesis and limited treatments, and ferroptosis has been reported to be involved in its development....
Identification of key targets and mechanisms of apigenin against pancreatic cancer via network pharmacology, weighted gene co-expression network analysis, and molecular docking
Available online 17 July 2026
Pancreatic cancer (PC) is characterized by high malignancy and limited therapeutic options. Apigenin, a natural flavonoid compound, has potential anti-tumor activity, yet its molecular targets and anti-PC...
Integrating bioinformatics and machine learning to analyze molecular biomarkers, immune infiltration mechanisms, and small-molecule therapeutic candidates for gallstones
Available online 17 July 2026
Gallstones, a prevalent digestive disease, frequently trigger chronic inflammation, yet traditional methods fail to fully uncover its molecular mechanisms. This study integrates bioinformatics and machine...
Integrated network pharmacology, machine learning and experimental validation reveal that ursolic acid promotes M2-like microglial polarization by targeting CYP51A1 in cerebral ischemia-reperfusion injury
Available online 17 July 2026
Cerebral ischemia-reperfusion injury (CIRI) is a key pathological consequence of ischemic stroke, and an imbalance between pro-inflammatory and anti-inflammatory microglial phenotypes contributes to...
Integrating network pharmacology, molecular docking and cellular experiments reveals that Tanshinone IIA alleviates free fatty acids-induced Huh-7 cell lipogenesis, inflammation and oxidative stress by regulating NFKBIA
Available online 16 July 2026
Non-alcoholic fatty liver disease (NAFLD) is a leading cause of chronic liver disease, characterized by hepatocellular fat accumulation ranging from steatosis, non-alcoholic steatohepatitis to cirrhosis....
Bioinformatics-based prediction and in vitro validation of quercetin’s potential targets in congenital spinal deformity: An exploratory study on its role in osteogenic differentiation
Available online 16 July 2026
Congenital spinal deformities (CSDs) are a class of complex spinal malformations arising from abnormal vertebral development, often associated with aberrant osteogenic differentiation. Quercetin (QUE),...
QSAR-based virtual screening of drugbank entries to identify potent lanosterol 14α-demethylase inhibitors
Available online 14 July 2026
Lanosterol 14α-demethylase (CYP51) plays a critical role in ergosterol biosynthesis and is a well-established target for antifungal drug development. In this study, an integrated computational approach...
Antigen–antibody interactions in precision medicine: Molecular mechanisms, targeted drug delivery, and nanomedicine applications
Available online 14 July 2026
Conventional systemic drug administration remains constrained by non-specific tissue distribution and dose-limiting toxicity, which necessitates the development of precision-guided therapeutic alternatives....
Cardioprotective effects of plant-based dietary patterns: Evidence, mechanisms and public health implications
Available online 14 July 2026
Cardiovascular diseases (CVDs), including coronary heart disease, stroke and hypertension, remain the leading causes of morbidity and mortality worldwide, placing a significant burden on healthcare...
Dasatinib ameliorates immune checkpoint inhibitor-associated myocarditis in mice
Available online 14 July 2026
Immune checkpoint inhibitor-associated myocarditis (ICIM) is a rare but life-threatening complication of cancer immunotherapy. Current management strategies, which are primarily based on glucocorticoids,...
A bispecific antibody Tab1 targeting PD-L1 and VEGF demonstrates enhanced antitumor efficacy in preclinical models
Available online 14 July 2026
Monotherapy targeting programmed death-ligand 1 (PD-L1) or vascular endothelial growth factor (VEGF) often yields suboptimal responses due to tumor resistance. This study developed Tab1, a novel bispecific...
Synthesis, biological evaluation & in silico studies of N-(1-aza-2-phenylvinyl)-2-(benzoylamino)-3-phenylprop-2-enamides
Available online 13 July 2026
As an extension of our earlier work on acetamido cinnamoyl derivatives, a new series of N-(1-aza-2-phenylvinyl)-2-(benzoylamino)-3-phenylprop-2-enamides (6a-6n) were synthesized....
Exploration of the preliminary mechanism of HM568 in AD treatment: From reverse virtual screening to validation
Available online 13 July 2026
Alzheimer’s disease (AD) affects a large number of people worldwide; its pathological mechanisms are complex, and there is a lack of effective treatments. HM568, a honokiol derivative, has been shown...
Identification of C3 as a target of Genistein, Isotretinoin and Rofecoxib in age-related macular degeneration
Available online 10 July 2026
Age-related macular degeneration (AMD) is a leading cause of blindness with advancing age as the main risk factor. Given the involvement of retinal pigment epithelium dysfunction, inflammation, oxidative...
Novel 4-(pyrimidin-5-yl)benzaldehyde based α-acyloxy amides via optimized Passerini reaction: In vitro COX inhibition and computational validation
Available online 6 July 2026
Cyclooxygenase (COX) enzymes play a key role in the biosynthesis of prostaglandins that mediate pain and inflammation. The overexpression of COX-2 has been linked to several pathological conditions,...
Design and synthesis of quinazolinone-thiazole hybrids as potential antimicrobial agents: In Silico approaches and In vitro biological evaluation
Available online 6 July 2026
Due to the inefficiency of antimicrobial drugs, several efforts have been conducted to develop novel quinazolinone-thiazole hybrids to treat microbial infections. In synthetic studies of quinazolinones,...
Molecular mechanisms of renoprotection and safety profile of Salvia miltiorrhiza (Danshen)
Available online 1 July 2026
Chronic kidney disease (CKD), affecting 10–15% globally, represents a major public health burden exacerbated by diabetes, hypertension, and aging populations. Current treatments (e.g., renin-angiotensin...
Ligand-based pharmacophore modelling, molecular docking, and molecular dynamic studies of VEGFR2 inhibitors
April 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...
Ivermectin B1a sensitizes TNBC cells to cyclophosphamide therapy in vitro by targeting PITRM1/SLC7A11-mediated ferroptotic pathway
April 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
April 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...
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
April 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...
Nanodelivery systems for brain-targeted delivery of traditional chinese medicine bioactives in neurodegenerative diseases: Therapeutic mechanisms, translational challenges, and ethical perspectives
April 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...