Potent α-glucosidase and tyrosinase inhibition by thiophene-based Schiff bases: Experimental and computational evaluation
Available online 12 March 2026
In this study, novel thiophene-based Schiff base derivatives were synthesized, and their structures were comprehensively analyzed. The inhibitory potentials of these compounds on α-glucosidase and tyrosinase...
Research progress on the mechanism and intervention strategies of MET protein in regulating the resistance to targeted therapy for EGFR-mutated non-small cell lung cancer
Available online 12 March 2026
Non-small cell lung cancer (NSCLC) represents a highly prevalent and lethal malignant tumor on a global scale, with a substantial proportion of patients presenting with EGFR mutation-positive non-squamous...
Investigating the potential phytochemical inhibitors against PvrA protein of Pseudomonas aeruginosa using In Silico approaches
Available online 11 March 2026
The opportunistic, gram-negative bacterium Pseudomonas aeruginosa is a serious threat to human health, especially in individuals with weakened immune systems. It is well known to cause serious infections...
Computational study of Fostemsavir reactivity to understand its degradation properties and its intrinsic stability through DFT and MD approach
Available online 11 March 2026
Although several drugs are available for the treatment of HIV infections, it remains a threat to the global population. Fostemsavir is an anti-retroviral drug approved currently for the treatment of...
Matrine protects human glomerular mesangial cells from lipopolysaccharide-induced Injury via the MCP-1/CCR2 axis and TLR4/NF-κB pathway in glomerulonephritis
Available online 10 March 2026
Glomerulonephritis refers to a group of disorders marked by glomerular inflammation and injury. Matrine, a herbal compound with well-documented anti-inflammatory properties, has been proposed as a potential...
Investigation of 4-(4-Chlorophenyl)-2,4-dihydro-5-(4-pyridyl)-3H-1,2,4-triazole-3-thione in morphine induced dependence model augmented by simulation and molecular docking
Available online 9 March 2026
Opioid dependence is a serious worldwide health issue. The available treatments are frequently constrained by side effects and inadequate neuroprotection. New therapeutic drugs that can both address...
Quality by design-based development and validation of a robust RP-HPLC method for the simultaneous estimation of nirmatrelvir and ritonavir in pharmaceutical formulations
Available online 9 March 2026
The current research sought to design and evaluate a robust, risk-based HPLC technique for the simultaneous quantification of Nir (Nir) and Ritonavir (Rit) in pharmaceutical formulations, using a Quality...
Exploring the mechanism of Squamocin inhibits oral squamous cell carcinoma malignant progression by targeting peroxisome proliferator activated receptor-gamma based on network pharmacology and molecular docking
Available online 7 March 2026
Oral squamous cell carcinoma (OSCC) is a highly metastatic malignant tumor that originates from the squamous epithelium of oral mucosa. Squamocin, a compound derived from traditional Chinese medicine,...
Integrating single-cell sequencing and network pharmacology to reveal the mechanisms of matrine against ulcerative colitis
Available online 7 March 2026
Ulcerative colitis (UC) is a chronic and relapsing inflammatory bowel disease (IBD). The quinolizidine alkaloid matrine exhibits potent anti-inflammatory, immunomodulatory, neuroprotective, and anti-cancer...
Exposure of Bisphenol S on splenic injury causing inflammation in Wistar rat by histological analysis
Available online 7 March 2026
Bisphenol S (BPS), an analog of bisphenol A (BPA), is commonly found in everyday products like plastic bottles, baby feeders, thermal receipts, epoxy resins, and various plastic items. Daily exposure...
Computational docking and structure–activity relationship analysis of triazine analogues as selective PDE4B and PDE4D inhibitors
Available online 7 March 2026
Phosphodiesterase-4 (PDE4) enzymes are well-validated therapeutic targets implicated in inflammatory, neurological and oncological disorders. Among the PDE4 isoforms, PDE4B and PDE4D are of particular...
Integration of single-cell sequencing and multi-omics approaches with pharmacological analysis to unveil biomarkers and mechanisms of traditional Chinese medicine in treating heart diseases
Available online 7 March 2026
Traditional Chinese medicine (TCM) offers a holistic approach to managing cardiovascular diseases (CVDs). However, its complex multi-component and multi-target mechanisms, along with associated biomarkers,...
15, 16-dihydrotanshinone I mitigates right ventricular hypertrophy in pulmonary arterial hypertension by suppressing HIF1A/CXCR4 signaling
Available online 7 March 2026
Pathological progress of right ventricular hypertrophy contributes to the mortality of patients with pulmonary arterial hypertension (PAH), but the intervention strategy remains limited. 15,16-Dihydrotanshinone...
Somatic mutation profiling among Pakistani females with breast cancer carrying alterations in various genes by whole exome sequencing
Available online 7 March 2026
Breast cancer susceptibility genes like BRCA1 and BRCA2 have been extensively studied and found to be highly mutated. Additionally, other high penetrance genes associated with BC, such as P53, PTEN,...
Development and evaluation of a piceatannol-L-arginine nanogel for sustained salivary pH and exopolysaccharide reduction in caries prevention
Available online 7 March 2026
Oral health is an integral component of human health and well-being. Maintaining oral hygiene is vital as it may lead to local and systemic chronic complications. The most initial consequence of poor...
The effects of hydrogen-rich water on male fertility and spermatogenesis
Available online 7 March 2026
Infertility is a significant health issue affecting the population globally, especially in the low- and middle-income countries. Molecular hydrogen (H2) has therapeutic effects that include the ability...
Integrated m⁶A and transcriptome analysis in a smoking-induced lung injury model reveals key methylated genes and computationally predicts potential therapeutic candidates
Available online 7 March 2026
The pathogenesis of chronic obstructive pulmonary disease (COPD) involves epigenetic regulation, yet the role of transcriptome-wide N6-methyladenosine (m⁶A) RNA methylation remained unclear. This study...
Eco-friendly synthesis of CUO-Ag nanoparticles using Mentha Longifolia and their anticancer efficacy in breast and gastric cancer cells
Available online 7 March 2026
Breast and gastric cancers continue to pose significant global health challenges due to the limitations of existing therapies....
In vitro, in vivo, and computational insights into oxadiazole-pyrimidine-linked thiocoumarins as potent therapeutics for chagas disease
Available online 6 March 2026
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
Available online 6 March 2026
Berberine demonstrates protective effects against diabetic kidney disease (DKD), yet its underlying mechanisms remain incompletely understood. This study investigated whether berberine alleviates DKD...
Artificial intelligence and machine learning in drug discovery: From lead discovery to clinical validation (2020–2025)
Available online 6 March 2026
Artificial intelligence (AI) and machine learning (ML) are fundamentally changing the small-molecule drug discovery process, primarily by moving the workflow from being empirically screened to data-driven,...
Indole ring linked thiazolidone hybrid molecules as potent tubulin inhibitors
Available online 6 March 2026
Tubulin inhibitors are a prominent class of antineoplastic agents for cancer therapy, with many established drugs originating from plant-derived compounds such as vinca alkaloids and taxanes....
Mitigating chronic granulomatous disease (CGD) through mutational analysis and de novo drug design targeting the CYBA gene through different approaches
Available online 6 March 2026
Chronic Granulomatous Disease (CGD) is a rare genetic immunodeficiency disorder that arises from mutations in genes responsible for encoding the NADPH oxidase complex, including the CYBA. Such genetic...
Gold nanoparticles as therapeutic targets against Porphyromonas gingivalis and gingivitis: A molecular docking and network pharmacology study
Available online 6 March 2026
Functionalized gold nanoparticles exhibit a promising dual-action mechanism for treating gingivitis induced by Porphyromonas gingivalis....
Alkylating agents in cancer: Current developments
Available online 6 March 2026
The term cancer is derived from a Latin word “cancrum” which means crabs, and associated with group of disease which is related with cellular malfunctions. It is one of the major causes of death in...