Targeting TTK with Tinospora cordifolia phytochemicals for bone metastatic castration-resistant prostate cancer
Available online 3 February 2026
Castration-resistant bone metastatic prostate cancer (CRBMPC) is the most dangerous variant of Prostate Cancer (PCa). Despite advancements in developing diverse therapeutic agents, an effective treatment...
N-substituted thiourea derivatives based aminoalcohols: Discovery of potent cholinesterase inhibitors as new therapeutic approach In Alzheimer’s disease
Available online 3 February 2026
A novel series of aminoalcohol-based N-substituted thiourea derivatives (T1–T5) were synthesized and systematically evaluated as potential acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)...
Indolizines in focus: Synthetic approaches, biological profiles, and SAR perspectives, a review
Available online 3 February 2026
Indolizine derivatives have proven to be versatile heterocyclic organic compounds with potential applicability in medicinal chemistry and synthetic organic chemistry. Being bicyclic, they can be highly...
Fullerene-based nanoconjugate for enhanced delivery of docetaxel in cancer cells
Available online 3 February 2026
Docetaxel (DTX) has garnered extensive attention in the field of cancer chemotherapy owing to its excellent therapeutic potential in cancer management. Despite its remarkable potential, attaining adequate...
Mechanistic analysis of oral liquid in the treatment of asthma based on network pharmacology and machine learning
Available online 2 February 2026
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...
Exploring molecular markers of atrial fibrillation fibrosis and drug targets of paricalcitol based on network pharmacology, single-cell transcriptomics, and molecular docking
Available online 2 February 2026
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...
Unraveling the mechanisms of Phillyrin’s otoprotective effects: An integrated approach of network pharmacology and in vitro validation
Available online 2 February 2026
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
Available online 2 February 2026
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...
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
Available online 2 February 2026
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
Available online 2 February 2026
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
Available online 2 February 2026
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,...
Exploring the mechanism of Carthami Flos in treating ischemic stroke based on network pharmacology and molecular docking
Available online 2 February 2026
Ischemic stroke, the most prevalent form of stroke, is a leading global cause of mortality and long-term disability. Carthami Flos, a classic TCM herb for blood stasis, improves circulation and offers...
Thymol attenuates neuropathic pain by suppressing inflammation and oxidative stress in the spinal cord
Available online 2 February 2026
Neuropathic pain is a devastating condition that negatively affects patients' quality of life. Thymol has several pharmacological activities, including anti-inflammatory and antioxidant properties....
Coumarin-3-carboxamide derivatives as promising anti-tubercular agents: An In-silico and In-vitro approach
Available online 2 February 2026
Tuberculosis is an infectious disease caused by the Mycobacterium tuberculosis that has continued to be a significant global health problem. The current study investigates novel coumarin-3-carboxamide...
Phytochemical profiling, antiviral activities, molecular docking, and dynamic simulation of potential Indian medicinal plants against NDV
Available online 2 February 2026
Newcastle disease remains a major threat to poultry farming, especially in village chickens, causing substantial economic losses estimated at 116,591 metric tons of poultry products annually. Despite...
Single-cell multi-omics for biomarker discovery: Technologies, molecular mechanisms, applications and translational challenges
Available online 2 February 2026
Single-cell multi-omics technologies have emerged as transformative tools in biomarker discovery, enabling the concurrent interrogation of multiple molecular layers such as the genome, epigenome, transcriptome,...
Transcriptomic analysis combined with network pharmacology and molecular docking identifies NLRP3/SOD2 as potential targets of puerarin linked to macrophage polarization in lumbar disc herniation
Available online 2 February 2026
Lumbar disc herniation (LDH) is a prevalent degenerative spinal disease with low back pain and neurological deficits. Puerarin, a major active component of leguminous plants, has anti-inflammatory and...
Molecular docking, DFT calculations, and molecular dynamics simulations in the computational investigation of hydrazone derivative potential as a COVID-19 receptor inhibitor
Available online 2 February 2026
The ongoing quest for multifunctional organic molecules that exhibit both pharmaceutical and optoelectronic potential has intensified interest in heterocyclic compounds. Among them, hydrazone derivatives...
Pharmacological effects and prospects of traditional Chinese medicine and its bioactive components in the prevention and treatment of urolithiasis and cholelithiasis
Available online 2 February 2026
Urolithiasis and cholelithiasis are common disorders of the urinary and digestive systems, characterized by high incidence and recurrence rates, imposing a significant public health burden. Current...
Immune infiltration and candidate drug prediction for HPV-positive head and neck squamous cell carcinoma based on CYP1B1, THBS1, NEAT1 and VCAN
Available online 2 February 2026
Human papillomavirus HPV-positive head and neck squamous cell carcinoma (HPV+ HNSCC) exhibits distinct tumor biology and immune microenvironment characteristics. Understanding cellular heterogeneity...
Research progress of stem cells on periodontal regeneration in periodontitis
Available online 2 February 2026
Periodontal disease is a common chronic disease in the oral cavity. It can lead to the destruction of periodontal tissue such as alveolar bone, periodontal ligament and cementum, causing progressive...
Ginsenoside Rb1 ameliorates myocardial ischemia/reperfusion injury in rats by inhibiting cardiomyocytes ferroptosis via the Nrf2/HO-1/GPX4 signaling pathway
Available online 2 February 2026
Ginsenoside Rb1 (GRb1), a major representative activity substance of ginsenoside, exhibits protective effects against myocardial ischemia/reperfusion injury (MI/RI). However, its mechanism of action...
AI-native drug design: A five-year agenda for mechanistic, regulatable, and globally equitable innovation
Available online 2 February 2026
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...
UPLC-MS/MS and network pharmacology-based antidepressant study of Chaihu Jia Longgu Muli decoction
November 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....