Nanotechnology-enhanced herbal sunscreens: A natural approach to UV protection and skin care
January 2026
Prolonged exposure to ultraviolet (UV) radiation is a leading cause of several skin-related concerns, including sunburn, premature aging, pigmentation, and even skin cancer. While conventional sunscreens...
Rational design of novel 2-aminopyrido[3,4-d]pyrimidin-4-one derivatives as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors using 3D QSAR, docking, and molecular dynamics simulation approaches
January 2026
Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) is an essential enzyme in the de novo pyrimidine biosynthesis pathway and a validated antimalarial drug target. Inhibition of PfDHODH enzyme...
Unveiling biomarkers of chemoresistance: CASP1, ENG, and H6PD in 5-Fu-treated colorectal cancer
January 2026
Colorectal cancer (CRC) is a prevalent digestive tract malignancy, and 5-fluorouracil (5-Fu) remains a chemotherapy cornerstone. However, drug resistance markedly compromises efficacy, highlighting...
Synthesis and biological evaluation of thiobarbituric acid derivatives as antioxidant and cytotoxic agents
January 2026
Oxidative stress (OS) arises from an imbalance between the production of reactive oxygen species (ROS) and the antioxidant defenses of the body. Factors such as poor dietary patterns, obesity, exposure...
Design and combinatorial library generation of azole derivatives as anticancer agents: QSAR, molecular docking and dynamic approach
December 2025
Azole scaffolds have gained significant attention in anticancer drug discovery due to their diverse pharmacological potential and favourable physicochemical properties....
Computational design and screening of novel dipeptide analogues as potent antileprotic agents against alanine racemase and ligase
December 2025
Mycobacterium Leprae is the root cause of the granulomatous skin condition known as leprosy. This causes the development of cutaneous lesions in the skin. Transmission primarily occurs through coughing...
Therapeutic effect of hyperbaric oxygen combined with estazolam on insomnia: A meta-analysis
December 2025
To investigate the therapeutic efficacy of hyperbaric oxygen combined with estazolam in the treatment of insomnia....
Computational design and validation of a multi-epitope vaccine candidate against structural proteins of langya virus
December 2025
The Langya virus (LayV), an emerging zoonotic henipavirus with pandemic potential and high fatality risks akin to Nipah and Hendra viruses. It underscores an urgent public health need for preventive...
Coumestrol induces ferroptosis to alleviate proliferation and inflammation responses of fibroblast-like synoviocytes in rheumatoid arthritis by inhibiting TRIM3-mediated down-regulation of mitochondrial PMAIP1
December 2025
Rheumatoid arthritis (RA) is a chronic autoimmune disorder characterized by synovial inflammation and hyperplasia, where fibroblast-like synoviocytes (FLS) play a central role in disease progression...
Automated detection of breast cancer using machine learning and deep learning models from tabular data
December 2025
Detection of breast cancer remains an important global health issue, particularly in patients with dense breast tissue. Despite wide use of machine learning for breast cancer diagnosis, many existing...
Development of a RiskScore model related to cancer-associated fibroblasts for assessing patient prognosis and drug sensitivity in lung adenocarcinoma
December 2025
Cancer-associated fibroblasts (CAFs) are central to the progression of lung adenocarcinoma (LUAD), yet their heterogeneity and prognostic relevance remain incompletely characterized....
In vitro, in vivo, and computational insights into oxadiazole-pyrimidine-linked thiocoumarins as potent therapeutics for chagas disease
December 2025
Chagas disease, caused by Trypanosoma cruzi, remains a significant global health burden with limited treatment options....
Berberine inhibits renal glomerular endothelial cell injury to attenuate diabetic kidney disease through sodium butyrate-mediated HDAC1/GPX4 axis
December 2025
Berberine demonstrates protective effects against diabetic kidney disease (DKD), yet its underlying mechanisms remain incompletely understood. This study investigated whether berberine alleviates DKD...
Synthesis of novel thiophene derivatives: Evaluation of antioxidant, anticancer, and AChE inhibitory activities
December 2025
Heterocyclic compounds hold a significant position in pharmaceutical chemistry owing to their extensive range of biological activities....
Mechanistic analysis of oral liquid in the treatment of asthma based on network pharmacology and machine learning
December 2025
Asthma is a chronic inflammatory disorder characterized by airway hyperresponsiveness and remodeling. Zhikeling oral liquid (ZOL), a traditional Chinese medicine, has been reported to exhibit potential...
Unraveling the mechanisms of Phillyrin’s otoprotective effects: An integrated approach of network pharmacology and in vitro validation
December 2025
Tinnitus is a common and often debilitating neurological disorder. Phillyrin, a bioactive lignin, has garnered increasing attention for its diverse pharmacological properties. This study utilized an...
Pharmacological treatment of adolescent depression: Current advances and future perspectives
December 2025
Adolescent depression is a prevalent and increasingly concerning mental health condition, characterized by persistent low mood, loss of interest, and impaired social functioning. Due to the complexity...
Exploring molecular markers of atrial fibrillation fibrosis and drug targets of paricalcitol based on network pharmacology, single-cell transcriptomics, and molecular docking
December 2025
Atrial fibrillation (AF) is closely associated with cardiac fibrosis, where fibroblasts play a central role. However, systematic research into the key regulatory factors to fibroblasts in AF remains...
Integrative single-cell sequencing and metabolomics reveal the immunometabolic regulatory network of alirocumab in atherosclerosis: Focus on the PCSK9-LOX-1-NF-κB-IL-6 axis and therapeutic prospects
December 2025
Atherosclerosis (AS), the primary pathological basis for cardiovascular diseases, is characterized by a maladaptive interplay between lipid deposition and chronic inflammation. Although conventional...
Polyherbal DPP-IV inhibitors: In silico and in vivo insights into anti-diabetic drug design
December 2025
Dipeptidyl peptidase-IV (DPP-IV) inhibition is an established therapeutic strategy for diabetes management by prolonging incretin activity. Though individual medicinal plants have shown antidiabetic...
From quantum chemistry to dynamics: Computational insights into Petrosin as a promising antidiabetic α-amylase inhibitor
December 2025
The search for novel antidiabetic agents has sparked interest in natural compounds with α-amylase inhibitory potential. This study comprehensively evaluated Petrosin through toxicity, pharmacokinetic,...
Deciphering diabetic nephropathy-associated mechanisms of bailing tablet via network pharmacology, machine learning, and in vitro validation
December 2025
Diabetic nephropathy (DN), a common chronic complication of diabetes, is characterized by glomerular damage and progressive renal dysfunction, with limited specific treatment options available. Bailing...
From prediction to design: A machine learning model for de novo bioactive compounds and personalized biotherapeutics
December 2025
Traditional approaches for identifying and improving bioactive molecules, important for pharmaceutical development, are laborious and inefficient. Therapeutic chemical screening, development, and customization...
A novel antibody targeting the human MICA α3 domain enhances NK cell activity in vitro
December 2025
The major histocompatibility complex-class I chain related proteins A and B (MICA/B) are expressed by many human cancers as a result of genomic damage, facilitating immune surveillance by cytotoxic...
Bufei Huoxue Granules target the mitophagy–senescence–inflammation axis to alleviate cigarette smoke-induced COPD: integrating network pharmacology and experimental validation
December 2025
This study sought to elucidate the potential mechanisms of Bufei Huoxue Granules (BFHXG) in the treatment of chronic obstructive pulmonary disease (COPD), specifically examining its features related...