An in-silico design of a novel ursodeoxycholic acid analogue for helminthiasis therapy
Available online 17 February 2026
Helminths, elongated insects, infect millions of humans worldwide, affecting 25 % of the population worldwide. Anthelmintic drugs treat helminthic-related illnesses, but resistance occurs when drug...
Antiproliferative effects of pyranopyrazole analogs: In vitro and molecular docking analysis
Available online 16 February 2026
Glioblastoma multiforme is the most aggressive primary brain tumor in adults, and current multimodal therapies provide only limited survival benefit. There is an urgent need for new small-molecule scaffolds...
Network pharmacology-guided and molecular dynamics-validated insights into rubia phytocompounds as potential therapeutics for pneumonia
Available online 14 February 2026
Pneumonia caused by Streptococcus pneumoniae, Klebsiella pneumoniae, Mycoplasma pneumoniae, various viruses, and fungi, represents a significant nosocomial pathogen that affects the alveolar space within...
Computational design and validation of a multi-epitope vaccine candidate against structural proteins of langya virus
Available online 13 February 2026
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...
Network pharmacology-based strategy to investigate pharmacological mechanisms of scutellaria baicalensis against aging
Available online 13 February 2026
Scutellaria baicalensis is a traditional Chinese medicinal herb and plays an important role in anti-inflammatory and antioxidant processes. It has shown great potential in anti-aging-related research....
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
Available online 13 February 2026
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...
Solid lipid nanoparticles: A novel therapeutic strategy against multidrug-resistant uropathogens: A comprehensive review
Available online 13 February 2026
The urinary tract infection (UTI) is one of the most prevalent bacterial infections, and the rise in antimicrobial resistance(AMR) among uropathogens has significantly compromised the efficacy of conventional...
Urolithin D sensitizes hepatocellular carcinoma to T-cell responses through downregulating ACOT7/PD-L1 axis
Available online 13 February 2026
The upregulation of programmed death-ligand 1 (PD-L1) is crucial for immune escape in hepatocellular carcinoma (HCC), but its related mechanisms and treatment strategies are not fully understood. This...
Design and combinatorial library generation of azole derivatives as anticancer agents: QSAR, molecular docking and dynamic approach
Available online 12 February 2026
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
Available online 12 February 2026
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
Available online 12 February 2026
To investigate the therapeutic efficacy of hyperbaric oxygen combined with estazolam in the treatment of insomnia....
Polymeric nanofibers: Quality by design: Perspectives and prospects
Available online 12 February 2026
Polymeric nanofibers, for biomedical and pharmaceutical use, compel process that requires precise control of multiple factors. A quality by design approach provides a risk-based framework to guide development,...
Synthesis of novel thiophene derivatives: Evaluation of antioxidant, anticancer, and AChE inhibitory activities
Available online 11 February 2026
Heterocyclic compounds hold a significant position in pharmaceutical chemistry owing to their extensive range of biological activities....
Deciphering diabetic nephropathy-associated mechanisms of bailing tablet via network pharmacology, machine learning, and in vitro validation
Available online 11 February 2026
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...
Molecular docking, synthesis, in vitro and in vivo neuroprotective assessments of newer pyrazole analogues against fibrillatory protein dynamics
Available online 11 February 2026
Amyloid fibrils are formed by the accumulation of Amyloid β (Aβ) peptides, and the presence of multivalent cations can modulate this aggregation process, thereby contributing to the development of Alzheimer’s...
Diisopropyl (2-amino-3-cyano-4H-chromen-4-yl)phosphonates: Insights into cytotoxic activity, integrated in silico methods and molecular docking studies
Available online 11 February 2026
Cancer remains a main global health concern, motivating the search for novel healing agents with enhanced efficacy and wellbeing profiles. Amongst heterocycles, chromenes have gained prominence due...
Network toxicology, machine learning combined with experimental validation: Rutin ameliorates NAFLD and prevents BHA-induced hepatotoxicity via Casp3 suppression
Available online 11 February 2026
Non-alcoholic fatty liver disease (NAFLD) is a common chronic liver disease globally. Butylated hydroxyanisole (BHA), a widely used synthetic antioxidant, can induce hepatotoxicity upon high-dose or...
Cardiovascular drug use and Alzheimer’s disease: A systematic review of clinical evidence
Available online 11 February 2026
Alzheimer’s disease (AD), the most prevalent form of dementia, is increasingly recognized as a multifactorial condition involving both neurodegenerative and vascular components. Cardiovascular disease...
A novel antibody targeting the human MICA α3 domain enhances NK cell activity in vitro
Available online 10 February 2026
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
Available online 10 February 2026
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...
Exploring the mechanism of Madetuliayate Formula on denervated muscle weakness and atrophy based network pharmacology and validation analysis
Available online 7 February 2026
The Madetuliayate Formula (MDTF) is a traditional Chinese medicine that shows promise in treating nerve injury (NI) and its complications, including muscle weakness (MW) and muscle atrophy (MA). However,...
From prediction to design: A machine learning model for de novo bioactive compounds and personalized biotherapeutics
Available online 5 February 2026
Traditional approaches for identifying and improving bioactive molecules, important for pharmaceutical development, are laborious and inefficient. Therapeutic chemical screening, development, and customization...
Polymer-based nanofibers in biomedicine: Fabrication to therapeutic applications
Available online 3 February 2026
Nanofibers emerge as a groundbreaking advancement in biomedical and pharmaceutical sciences due to their high surface area-to-volume ratio, porosity, and ability to deliver therapeutic agents in a controlled...
Targeting PI3K/Akt/mTOR with fisetin mechanistic and therapeutics insights for Parkinson’s disease
Available online 3 February 2026
Parkinson’s disease (PD) is a developing neurodegenerative illness marked by oxidative stress, neuroinflammation, mitochondrial dysfunction, and lack of dopaminergic neurons. The PI3K/Akt/mTOR pathways...
Identification of plant-derived secondary metabolites as potential CDK2 inhibitors against colorectal cancer: Molecular docking, dynamics simulations and DFT study
Available online 3 February 2026
Colorectal cancer (CRC) ranks as the third most common cancer globally and remains the second leading cause of cancer-related deaths, with an estimated 1.9 million new cases and 0.93 million fatalities...