Letters in Drug Design & Discovery - Online First

Background Echinacea purpurea is a medicinal plant recognized for its rich array of bioactive constituents, making it a valuable resource for drug development. However, the potential antitumor effects and underlying mechanisms of Echinacea remain largely unexplored. Methods This study aims to elucidate the active ingredients, targets, and pathways mediating the anti-lung cancer effects of Echinacea through the lens of n Read More

Background Eudragit L100, filled with miconazole and gelatinous polymeric eye drops, is designed to sustain the drug release and increase ocular effect. Methods The solvent diffusion technique was used to obtain the polymeric solution. The formulations developed were fully characterized and examined. Results The optimized drug had a particle size of 71.15 2.3 nm, a zeta potential of approx. 2.57 to 0.76 mV, a polydispersity i Read More

Background The Nrf2-Keap1 pathway holds great significance in antioxidant defense mechanisms. This pathway has emerged as a pivotal clinical target for the development of highly potent therapeutic agents for neurodegenerative diseases. The Keap1-Nrf2 inhibitors covalently bind to the Keap1 protein, leading to modifications in cysteine residues. This computational study focused on the investigation of coumarin derivativ Read More

Background Gastrointestinal (GI) disorders are a kind of common, but complicated disease that may be triggered by many factors. In Asia, many traditional Chinese herbs are prominent in treating GI disorders, but the pharmacological mechanism still remains vague or unknown due to the multiple-component characteristics of traditional Chinese medicine (TCM). Objective In order to investigate the therapy mechanism of tr Read More

Penicillin G Acylase (PGA) has emerged as a critical biocatalyst in pharmaceutical sciences, exceeding its traditional role in penicillin synthesis. Despite its industrial significance, challenges, including substrate specificity, stability under industrial conditions, and efficiency in immobilization, persist. Engineering enhanced enzyme variants and developing advanced immobilization techniques along with process optimization sha Read More

Introduction Increased resistance of Staphylococcus aureus (S. aureus) poses a significant threat to disease control in animal husbandry and human public health. Eukaryotic-like Ser / Thr phosphatase (Stp1) is an effective target for the regulation of bacterial virulence. In this study, potential Stp1 inhibitors were screened through virtual screening, and the inhibitory mechanism of these compounds was explored using Read More

Objectives Phosphodiesterase-5 (PDE5) is an enzyme that promotes the degradation of cGMP in the blood, leading to a restriction in regulating blood flow in the penis, thereby reducing cGMP causing difficulties for men in achieving hardness (erectile dysfunction). Natural products with fewer side effects are being developed in many different treatment strategies and are necessary today. The current study aims to evaluate thi Read More

Background Patients with COVID-19 often have an impact on populations with underlying co-infection. METTL3 plays a crucial role in numerous infectious diseases, making the research on broad-spectrum anti-infective drugs targeting METTL3 both captivating and compelling. Objective The study aims to identify anti-infection potential compounds targeting METTL3 using a comprehensive virtual screening approach. Method Read More

Background Acute myocardial infarction (MI) is a serious emergency disease with high mortality. Hypoxia is associated with unfavorable outcomes in cancer patients. Nevertheless, there remains a shortage of effective hypoxia-related biomarkers to forecast the prognosis of acute MI patients and to identify targeted therapies. Methods First, data on acute MI patient samples and hypoxia-related genes were obtained based on p Read More