Vitexin inhibits the malignant progression of cervical cancer by regulating CDK2 expression
Available online 15 December 2025
Cervical cancer (CC) remains a significant global health burden, necessitating novel therapeutic strategies. Natural compounds offer promising avenues for the discovery of anticancer drug. Vitexin,...
Based on network pharmacology and molecular docking to explore the mechanism that Naringin alleviates neuronal injury after cerebral ischemia/reperfusion by inhibiting ferroptosis via TP53/SLC7A11
Available online 13 December 2025
Acute ischemic stroke (AIS) is a global cerebrovascular disease with high disability and mortality. Previous studies have revealed the protection of Naringin against ischemia in the nervous system....
UPLC-MS/MS and network pharmacology-based antidepressant study of Chaihu Jia Longgu Muli decoction
Available online 13 December 2025
Depression is a mental disorder characterized by persistent low mood and cognitive impairment. Chaihu Jia Longgu Muli Decoction (CLMD) is an effective and relatively safe therapeutic method for depression....
Berberine suppresses the malignant progression of ovarian cancer by downregulating HSP90AA1 expression
Available online 13 December 2025
Ovarian cancer, a malignancy from ovarian tissues, ranks among the top three most diagnosed malignant tumors in the female reproductive system. Berberine (BBR), a natural alkaloid, shows diverse pharmacological...
Integrative bioinformatics and cellular validation identify necroptosis-related genes as prognostic biomarkers in skin cutaneous melanoma
Available online 13 December 2025
The necroptosis-related gene signature has been already expounded by pan-cancer analysis. This research was designed to identify necroptosis-related genes to assess immunotherapy response and drug resistance...
Nodakenin targets TOP2A to inhibit the proliferation, invasion, migration of fibroblast-like synoviocytes and inflammatory response in rheumatoid arthritis
Available online 13 December 2025
Nodakenin, an active ingredient of Angelica pubescens, exhibits potent anti-inflammatory effects, but its specific role in rheumatoid arthritis (RA) remains unelucidated. This study investigates the...
Pharmacoinformatics-based identification of dual inhibitors of leishmanial DHFR and PTR1 enzymes
Available online 13 December 2025
Dihydrofolate reductase (DHFR) and Pteridine reductase 1 (PTR1) are well-known enzymes of the folate metabolic pathway in Leishmania and other protozoan parasites. Apart from the reduction of biopterin...
Optimizing therapeutic strategies for hypertensive disorders of pregnancy through multi-omics integration and network pharmacology
Available online 13 December 2025
Hypertensive disorders of pregnancy (HDP) are common and serious complications, affecting approximately one in ten pregnancies and significantly increasing the risk of adverse maternal and perinatal...
In vitro antimicrobial activities guided isolation of novel compounds from selected fractions of three South African Hypoxis species
Available online 9 December 2025
This study demonstrated the quest to fully expound the phytochemical composition of some South African medicinal Hypoxis species including H. hemerocallidea, H. colchicifolia and H. galpinii....
In silico design of potent inhibitors targeting TNF-alpha, IL-1β, and TGF-β of inflammatory disease using QSAR, docking, MD simulation, ADMET, and DFT studies
Available online 5 December 2025
Inflammatory diseases, such as rheumatoid arthritis, pulmonary fibrosis, and autoimmune disorders, remain a challenge to treat with current therapeutics due to limited efficacy and adverse side effects....
Regulation of hyperglycemia in type 2 diabetes mellitus: Insights into current therapeutic pathways
Available online 2 December 2025
Diabetes mellitus (DM) has emerged as a rapidly growing global health challenge, affecting millions of people worldwide and posing a significant socio-economic burden on healthcare systems in both developing...
Investigating the potential of Commelina benghalensis Linn. in breast cancer treatment: Insights from network pharmacology, molecular docking, and dynamic simulations
Available online 2 December 2025
Cancer remains a global health challenge, driven by complex mechanisms, including metabolic dysfunction, genetic mutations, and inflammatory processes....
Targeting kinase resistance in CML: Efficacy of phytoconstituents through molecular docking and dynamics simulations
Available online 2 December 2025
Chronic myeloid leukemia (CML) is caused by the reciprocal translocation t(9;22)(q34;q11) which generates the BCR-ABL1 fusion oncogene. The BCR-ABL1 protein causes constitutive tyrosine kinase activity....
Clinical effects of PD-1 inhibitor camrelizumab in advanced, recurrent, or metastatic cervical cancer: A meta-analysis
Available online 2 December 2025
To systematically evaluate the clinical efficacy of the programmed death-1 (PD-1) inhibitor camrelizumab in the treatment of advanced, recurrent, or metastatic cervical cancer (CC)....
Screening of therapeutic targets for mycoplasma pneumoniae pneumonia based on transcriptomics and machine learning
Available online 2 December 2025
Mycoplasma pneumoniae pneumonia (MPP) is a common respiratory infection in children lacking targeted therapies. This study aims to identify potential therapeutic targets through transcriptomics analysis...
N′-([1,1′-Biphenyl]-4-ylmethylene)-4-methylbenzenesulfonohydrazide as a potential EGFR inhibitor: ADMET, docking, dynamics, and DFT studies
Available online 2 December 2025
The Epidermal Growth Factor Receptor (EGFR) is a transmembrane tyrosine kinase receptor that regulates key cellular processes such as proliferation, differentiation, and survival. Aberrant activation...
Integrated computational analysis of halogenated curcumin derivatives targeting GSK-3β: Pharmacokinetic, docking, MDS, and DFT approaches
Available online 2 December 2025
Glycogen synthase kinase-3β (GSK-3β) is a multifunctional serine/threonine kinase involved in several diseases, such as cancer, diabetes, and neurodegenerative disorders. Its inhibition has gained significant...
Integrated experimental and computational study of novel pyrrole derivatives: Microwave-assisted synthesis, enzyme inhibition, antioxidant properties, and neurotoxicity evaluation
Available online 2 December 2025
Pyrrole derivatives are promising bioactive compounds known for their antioxidant, anti-inflammatory and neuroprotective properties, making them potential candidates for therapeutic development in neurodegenerative...
Naphthoquinone-triazole hybrids as anti-diabetic agents: An exploration of in silico and in vitro α-glucosidase and α-amylase inhibition
Available online 2 December 2025
Diabetes management requires effective inhibitors of carbohydrate-hydrolyzing enzymes such as α-glucosidase and α-amylase. This study explores naphthoquinone-triazole hybrids as potential anti-diabetic...
AI-driven target discovery and clinical development of candidate drugs for idiopathic pulmonary fibrosis: A review
Available online 2 December 2025
Idiopathic pulmonary fibrosis (IPF) is a chronic lung disease with high mortality and limited treatment options, urgently requiring new therapeutic targets and drug development strategies. In recent...
Synergistic anticancer effects of Dracaena cinnabari and Aloe perryi extracts on colorectal cancer cells: A flow cytometry analysis of toxicity, cell cycle, apoptosis, and autophagy
Available online 2 December 2025
The increasing global incidence of cancer and the significant side effects of conventional treatments necessitate the development of novel therapeutic strategies. Plant-based therapies offer a promising...
Machine learning–guided optimization of MALT1 inhibitors for diffuse large B-cell lymphoma via QSAR modelling, molecular docking, ADMET profiling, and molecular dynamics simulations
Available online 2 December 2025
The paracaspase MALT1(mucosa-associated lymphoid tissue lymphoma translocation protein 1) plays a pivotal oncogenic role in diffuse large B-cell lymphoma (DLBCL). However, many reported inhibitors exhibit...
Preliminary assessment of potential herb drug interaction between Momordica charantia and Sitagliptin – An in silico predictive analysis
Available online 2 December 2025
Herbal medicines are often used alongside conventional drugs in managing chronic diseases, such as type 2 diabetes mellitus (T2DM). Momordica charantia (bitter melon) is valued for its hypoglycemic...
Integrative network pharmacology and machine learning identify NLRP3 as a critical therapeutic target for liensinine in acute myocardial infarction
Available online 2 December 2025
Acute myocardial infarction (AMI) is a severe cardiovascular disease with complex pathogenesis, posing significant threats to human health. Liensinine, an alkaloid derived from lotus plumule, has shown...
Parabacteroides distasonis-derived ursodeoxycholic acid alleviates macrophage foaming and atherosclerosis progression by targeting NLRP3
Available online 26 November 2025
Atherosclerosis (AS) is a persistent immune-mediated inflammatory condition characterized by high morbidity and mortality rates. Ursodeoxycholic acid (UDCA) exhibits anti-inflammatory properties and...