Development and evaluation of rectal suppository formulation for antidiabetic activity of repaglinide: A comparative study
Available online 1 April 2026
Diabetes mellitus is a group of metabolic diseases mainly characterized by chronic hyperglycemia. The oral immediate release tablet formulation of Repaglinide (REP) is associated with the sudden hypoglycemia...
Development and optimization of a naproxen-chia seed oil emulgel for topical anti-inflammatory applications
Available online 1 April 2026
Chronic inflammation is a significant health issue, with non-steroidal anti-inflammatory drugs (NSAIDs), such as naproxen, being commonly used to manage inflammatory skin conditions. However, naproxen...
Camptothecin inhibits HCC progression via modulating MMP9 expression
Available online 30 March 2026
Hepatocellular carcinoma (HCC) is the most common primary malignant liver cancer and a leading cause of cancer-related deaths worldwide. Camptothecin (CPT), a cytotoxic alkaloid, inhibits cancer cell...
Exploring MD-LOVIs, DIVATI and DRAGON descriptors for thermolysin inhibition modeling
Available online 28 March 2026
Currently, thousands of molecular descriptors and various software for their calculation have been defined. However, their utility is often associated with the biological problem being modeled....
Advances in stem cell therapy, nanomedicine, multi-omics, and artificial intelligence–assisted strategies for the treatment of lung injury and pulmonary fibrosis
Available online 26 March 2026
Lung injury (LI) and pulmonary fibrosis (PF) are major causes of chronic respiratory failure, characterized by alveolar epithelial damage, persistent inflammation, and excessive extracellular matrix...
Bioinformatics and network pharmacology-based investigation of matrine’s therapeutic roles in breast cancer
Available online 26 March 2026
Breast cancer (BC) stands out as a leading malignancy in female populations, exhibiting a gradual global increase in cases. Matrine (MAT), a bioactive alkaloid derived from traditional Chinese medicine...
Benzimidazole derivatives as kinase inhibitors: Synthetic strategies, and therapeutic prospects in cancer
Available online 26 March 2026
The benzimidazole framework is an important heterocyclic pharmacophore in medicinal chemistry, particularly recognised for its structural bioisosterism with purine nucleotides. This resemblance enables...
Evolution-based fragment growth protocol for design of potent RsmD inhibitors in mycobacterium tuberculosis
Available online 26 March 2026
Tuberculosis (TB), caused by Mycobacterium tuberculosis (M.tb), has persisted for thousands of years, adapting to diverse environmental and immunological stressors. The persistence of latent M.tb infections...
Network pharmacology and machine learning-driven virtual screening with dynamics simulations of natural compounds for glioblastoma
Available online 24 March 2026
Glioma progression is driven by dysregulated signaling networks, including CDK4-Cyclin D3, PI3K-Akt, and EGFR pathways....
Structure-based drug designing and pharmacological profiling of Withanolide A as potential EGFR inhibitors for glioblastoma treatment
Available online 23 March 2026
Glioblastoma (GBM) remains the most aggressive and lethal form of primary brain tumor, characterized by a poor prognosis and limited therapeutic options. Among the molecular targets under investigation,...
Multitarget mechanism of berberine against cervical cancer: An integrated study of network pharmacology and molecular docking
Available online 20 March 2026
To investigate the potential targets and molecular mechanisms of berberine in the treatment of cervical cancer via an integrated network pharmacology and molecular docking approach, providing a theoretical...
Nanotechnology-enhanced herbal sunscreens: A natural approach to UV protection and skin care
Available online 19 March 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, molecular dynamics simulation approaches
Available online 19 March 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
Available online 19 March 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...
A critical review of novel functionalized pyrazoles: Chemistry, structure, and biological profile
Available online 18 March 2026
Pyrazoles are substantial nitrogen-containing heterocycles that are well acknowledged for their extensive array of biological activities and structural adaptability. The advancement of functionalized...
Identification of natural product-based S6K1 inhibitor by high-throughput virtual screening
Available online 16 March 2026
Type 2 diabetes mellitus (T2DM) is a chronic metabolic disorder characterized by insulin resistance and impaired glucose homeostasis. S6 kinase 1 (S6K1), a downstream effector of mTORC1, contributes...
Exploring coumarin derivatives as promising Acetylcholinesrtage inhibitors in alzheimer disease: Integrating QSAR, docking, MD simulations, and DFT study
Available online 16 March 2026
Alzheimer’s disease, a major health concern primarily distressing older population, remains without a cure, with current treatments providing only symptomatic relief. This study focused on identifying...
Phytochemicals as promising lead compounds for drug discovery: A comprehensive review of mechanisms and pharmacological potentials
Available online 13 March 2026
Phytochemicals, bioactive compounds derived from medicinal plants, have long contributed to drug discovery by providing diverse chemical scaffolds and broad biological activities. Despite strong preclinical...
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...
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, 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....