Current Enzyme Inhibition - Online First

Introduction The SARS-CoV-2 main protease (Mpro) is a critical enzyme for viral replication, making it an essential target for COVID-19 therapeutic development. In this study, we conducted a comprehensive virtual screening campaign to identify natural product-derived Mpro inhibitors using both structure-based pharmacophore modeling and ligand-based similarity search. Methods Two optimized pharmacophore models wer Read More

Introduction Medicinal plants are a rich source of natural antioxidants and play an important role in preventing oxidative stress-related diseases. This study aimed to evaluate the antioxidant activity of four Iranian Euphorbia species (E. malleata, E. gypsicola, E. caspica, and E. sylvicola). Methods The antioxidant activity of methanolic extracts from these species was evaluated using the DPPH assay. The most potent speci Read More

Introduction Ficus palmata is a herbaceous perennial plant belonging to the family Moraceae. It is used in various diseases, e.g., gastrointestinal disorders, tumours, hypoglycaemia, ulcers, hyperlipidaemia, diabetes, and fungal infections. Methods The fruit of the Ficus palmata plant was extracted. The total phenolic and total flavonoid content were determined. Following column chromatography, phytoconstituents were is Read More

Enzymes are proteins that act as biocatalysts and have been revolutionized in several fields and industries owing to their unique properties. Proteases are enzymes that hydrolyze peptide bonds in proteins. They are widely employed in the food, biotechnology, and pharmaceutical industries. As the demand for proteases increases, there is a growing focus on enhancing the expression and synthesis of protease enzy Read More

Introduction γ-secretase has been a primary target for the creation of therapies that alter the course of Alzheimer's disease. Compounds inhibiting γ-secretase, targeting PS-1, are potential therapeutic agents for Alzheimer’s disease. Methods The model was generated with the help of linear and non-linear regression analysis methods. The analysis helped to ascertain the role of log P (whole molecule), no. of H-bond (whole molec Read More

Introduction Indole, a bicyclic heterocyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring, is a versatile structural motif in medicinal chemistry. Its unique structure allows it to interact with various biological targets, making it a valuable scaffold in drug design. Moreover, indole derivatives have been widely explored for their pharmacological activities, including a Read More

Introduction Effective inhibition of pathogenic bacterial urease activity aligned with satisfied dissolution of struvite stone by purified flavonoid moieties can overcome several life-threatening renal disorders. The objective of this study was to investigate the in vitro inhibition of urease enzyme and an effective control over the formation of infectious renal stone (Struvite stone) by the extract and purified flavonoid of Citr Read More

Introduction/Objective Breast cancer is the most prevalent cancer among women globally, characterized by the uncontrolled growth of breast cells, and remains a leading cause of cancer-related morbidity and mortality. It can occur in both men and women, though it is significantly rarer in men. The multifactorial nature of breast cancer involves genetic mutations, hormonal influences, and complex cellular signalling pathways. Th Read More