Benzimidazole derivatives as anticancer agents: A review of recent literature and structure-activity relationships
Available online 10 January 2026
The structural diversity and associated biological activities of benzimidazole derivatives have made them attractive to medicinal chemists. Due to diverse biological activities of benzimidazole derivatives,...
Investigating the mechanism of luteolin in the treatment of inflammatory bowel disease based on network pharmacology, normal mode analysis and experimental validation
Available online 10 January 2026
This study aimed to explore the therapeutic mechanism of luteolin in the context of inflammatory bowel disease (IBD) by integrating in vitro experiments, network pharmacology, molecular docking, and...
Design, synthesis, and antibacterial evaluation of PABA–derived Schiff bases
Available online 9 January 2026
The increasing prevalence of multidrug-resistant (MDR) bacterial strains presents an urgent need for the development of novel antibacterial agents. Para-aminobenzoic acid (PABA) is a versatile scaffold...
Network pharmacology analysis of children pneumonia: Exploration of inflammation-related signaling pathways and potential therapeutic intervention targets
Available online 8 January 2026
Childhood pneumonia, a common respiratory disease, is driven by inflammatory responses that play a key regulatory role in its progression. This study aims to explore inflammatory signaling pathways...
Investigation of the therapeutic targets of BanXia on astrocytes and neurons in stroke based on transcriptomics and network pharmacology
Available online 8 January 2026
BanXia (BX) is a traditional Chinese medicinal herb used for thousands of years and belongs to the Araceae family. Stroke is a cerebrovascular disease. BX has been applied clinically to treat stroke,...
Synthesis and biological evaluation of thiobarbituric acid derivatives as antioxidant and cytotoxic agents
Available online 8 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, exposure to environmental...
Investigating the flavonoid compounds of citrus peel and their pharmacological mechanism to combat breast cancer through system pharmacology and experimental verification
Available online 8 January 2026
Breast cancer remains one of the most prevalent malignancies in women globally. Traditional treatment approaches are often limited by drug resistance and systemic toxicity, whereas multi-targeted treatments...
Preparation, characterization, and tyrosinase enzyme inhibition activity of biocompatible antibacterial Astragalus campylosema-loaded sodium alginate hydrogel
Available online 8 January 2026
Hydrogels have good water retention, biocompatibility and biodegradability. As a result, their medical use has become increasingly widespread....
Ginsenoside Rb1 suppresses the proliferation and tumorigenesis of U2OS osteosarcoma cells via downregulating PI3K/Akt signaling
Available online 8 January 2026
As the most prevalent malignant bone tumor, osteosarcoma (OS) primarily affects children and adolescents. Current treatment options for OS are limited by early metastasis, chemotherapy resistance, and...
Design and evaluation of novel N-Aryl oxamic acid derivatives as potential anti-tubercular inhibitors: A comprehensive molecular modeling study
Available online 8 January 2026
The emergence of multidrug-resistant strains severely challenges tuberculosis (TB) management, necessitating the development of novel therapeutics targeting unexplored virulence pathways. The enzyme...
Computer-aided drug design versus traditional drug development: A comparative perspective in Encephalitis treatment
Available online 8 January 2026
Encephalitis is a life-threatening neurological condition characterized by extensive neuroinflammation, with tumor necrosis factor-α (TNF-α) playing a central role in disease progression. Current antiviral...
The potential targets of salidroside in the treatment of pediatric epilepsy are revealed by network pharmacology, molecular docking, and cell experiments
Available online 8 January 2026
Salidroside has been reported as a neuroprotective drug in central nervous system diseases, including epilepsy. Herein, this study aimed to explore the potential mechanism of salidroside in pediatric...
A comprehensive review: deep learning-powered revolution in antitumor drug research-exploring multimodal data integration and ethical governance framework
Available online 8 January 2026
The traditional paradigm of antitumor drug development is plagued by protracted timelines, exorbitant costs, and high attrition rates, creating a pressing need for innovative solutions. Despite the...
Novel flavone derivatives as aldose reductase inhibitors with anti-cataract potential using goat lens
Available online 8 January 2026
Cataract is one of the primary causes of visual impairment in diabetics. Flavonoids have a wide range of biological activities linked to human health in addition to their primary antioxidant property....
WGCNA-guided network pharmacology identifies therapeutic targets of Modified Xiaofeng San Decoction in chronic spontaneous urticaria
Available online 8 January 2026
Chronic spontaneous urticaria (CSU) impairs patient quality of life and poses therapeutic challenges. Modified Xiaofeng San Decoction (MXSD), a traditional Chinese medicine formula, has shown clinical...
In silico design, one pot synthesis and pharmacological evaluation of tetra-substituted imidazoles as potential atypical antipsychotics
Available online 8 January 2026
The second-generation antipsychotics, also called as atypical antipsychotics display a superior therapeutic profile over the typical or conventional antipsychotics in the management of schizophreni...
Exploring the therapeutic potential of phytocompounds from selected medicinal plants for type2 diabetes mellitus management through computational analysis
Available online 7 January 2026
Since prehistoric times, medicinal plants have served as a critical source of bioactive compounds for treating numerous ailments, including Type 2 Diabetes Mellitus (T2DM). This study uses insilico...
Structure-based virtual screening of plant secondary metabolites for potential anti-tubercular activity
Available online 7 January 2026
Tuberculosis remains a major global health challenge, worsened by the rise of multidrug-resistant and extensively drug-resistant strains. Natural products have historically contributed to antimicrobial...
Quality by design based analytical (RP-HPLC) method development and validation of coenzyme q10 in single and combination with clomiphene citrate: An extensive review
Available online 6 January 2026
Analytical Quality by Design (AQbD) has emerged as a rigorous, science-driven framework that supports the development of robust and regulatory-compliant analytical procedures. Its application to RP-HPLC...
In silico evaluation of flavonoids (apigenin, quercetin, and kaempferol) as potential inhibitors of LytB in multidrug-resistant Streptococcus pneumoniae
Available online 27 December 2025
The rise of multidrug resistance among various serotypes of Streptococcus pneumoniae underscores the urgent need for novel therapeutics capable of targeting multiple strains. LytB, a β-endo-N-acetylglucosaminidase,...
Molecular docking and DFT analysis of a bis-Schiff base ligand: Strong affinity for SARS-CoV-2 main protease and other biological targets
Available online 22 December 2025
The escalating global health crisis of antimicrobial resistance underscores the urgent need for novel chemotherapeutic agents. Schiff bases represent a privileged class of compounds with broad-spectrum...
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...