Letters in Drug Design & Discovery - Online First

Objective The current use of Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) inhibitors is often limited by low selectivity and adverse side effects, highlighting the urgent need for novel, highly selective agents targeting this receptor. Methods Based on existing VEGFR-2 inhibitors, we employed computer-aided drug design (CADD) techniques to develop a virtual compound library using active docking fragments. Molecu Read More

Introduction Dermatophytosis is a significant global health issue that poses a serious risk to public well-being. This fungal infection occurs when dermatophytes invade the outer surfaces of both human and animal bodies. The use of common anti-dermatophyte medications has some limitations due to their side effects and drug resistance. Herbal remedies offer broad-spectrum antimicrobial effects low toxicity, and ar Read More

Background Synthetic antibiotics are often much more potent than natural alternatives. They can effectively treat serious and life-threatening bacterial infections. Methods The chalcones were synthesized by Claisen-Schmidt condensation and characterized by FT-IR, 1HNMR, 13CNMR and MS methods. All the compounds underwent computational and in-vitro evaluations for antimicrobial and antioxidant properties. Results Read More

Background Diabetic nephropathy, a complex microvascular complication of diabetes, poses substantial health and economic challenges globally. ZWD, known for its multi-component composition, has demonstrated potential therapeutic effects in DN, yet its molecular mechanisms require further elucidation to support its clinical application. Aim This study aimed to comprehensively investigate the active components, target Read More

Background Breast cancer is the most common cancer in women. Tyrosine kinase inhibitors were developed to treat breast cancer. EGFR/ErbB1 inhibition has proved to be a promising target in breast carcinoma therapy. Drugs with benzimidazole nucleus have been approved by the FDA for cancer treatment. Objective To design and develop benzimidazole anticancer small molecules for EGFR inhibition for the treatment of br Read More

Transdermal drug administration has become increasingly popular in pharmaceutical research due to its potential to enhance drug bioavailability, patient compliance, and therapeutic effectiveness. Transdermal administration of proteins and peptides has proven to be a viable method for enhancing the therapeutic efficacy and patient adherence to biologic medications. Administering proteins and peptides through the gast Read More

Background Intervertebral Disc Degeneration (IDD) is a major cause of lower back pain. Ginsenoside compound C (GCC) has shown potential in treating IDD, but its specific targets and mechanisms remain unclear. Objective This study aimed to investigate the potential molecular mechanisms of GCC in the treatment of IDD using network pharmacology and molecular docking approaches. Method Public databases Read More

Background Enzymes belonging to the kinase family have been extensively implicated in cancer. Aurora A (AURKA) is crucial in regulating the cell cycle. AURKA's significant role in the formation of abnormal mitotic spindles and the failure of cytokinesis positions it as a promising target for anticancer treatments. Notably, AURKA is observed to be overexpressed in various cancer types, making its inhibition a compelling strat Read More

Purpose Post-operative adhesion band formation is a serious post-surgery complication with a highly detrimental impact on patient morbidity and health care costs. In this study, we aimed to investigate the repurposed potential of a safe and FDA-approved drug, metformin, in attenuating post-surgical adhesion band formation in Achilles tendon surgeries in an animal model. Methods Wistar albino rats were divided randomly int Read More

Background Traditional Chinese medicine rarely applies the herb Safflower (Carthamus tinctorius) to the treatment of tumors and little is known about its mechanisms and the treatment of Safflower for melanoma. Objective This study aims to analyze the active ingredients and underlying mechanisms of Safflower in treating melanoma using network pharmacology, molecular docking, and in vitro experiments and provide Read More

Background Currently, network pharmacology and molecular docking technology are valuable tools frequently employed to predict the mechanisms and targets of drugs. Wengbu, a Tibetan medicine, is an anti-inflammatory agent commonly used in the Qinghai-Tibet Plateau of China, and it has been demonstrated to have an effect against skin inflammation. However, the network pharmacological mechanisms a Read More

Background Sedum sarmentosu Bunge (SSB), a perennial herb, exhibits notable therapeutic effects on hepatic fibrosis (HF). However, the mechanism of treatment has not been fully determined. Objective The objective of this study is to explore the active components in SSB and investigate its molecular mechanism of action in the treatment of HF based on network pharmacology, molecular docking, and molecul Read More

Background Stroke is one of the most important causes of mortality and disability in the world. Over 80% of strokes are ischemic, resulting from blockages in cerebral arteries. Increasing evidence suggests that enriching the diet with nutritional antioxidants could decrease brain damage and enhance cognitive function. Cornelian cherry has anti-inflammatory and antioxidant properties and is introduced as a potential source of Read More

Dysregulation of cellular signaling pathways leads to changes in proliferation, differentiation, and apoptosis, leading to cancer. This review aims to provide insight into the major three signaling pathways implicated in cancer development and progression: the Hedgehog (Hh), Phosphoinositide 3-kinase (PI3K), and Notch pathways. Abnormal activation of the Hedgehog pathway, which has been linked to several malignancies, inclu Read More

Background Hepatocellular carcinoma is the cancer with the highest mortality rate worldwide. Currently, existing treatments are not very effective for this disease. Different science areas have focused on developing new therapies, including nanomedicine. In-vitro studies have reported the anticancer activity of silver nanoparticles, particularly those coated with polyvinylpyrrolidone (AgNPs-PVP). Aims Characterize the effect Read More

Background Mushrooms are shown to protect against the side effects of cancer. Therefore, mushrooms with proven anticancer properties and active ingredients are fascinating in the search for new cancer drugs. Objective In this study, the effects of extracts from Hericium coralloides (M1), Lactarius deliciosus (M2), Lepista nuda (M3), Pleurotus ostreatus (M4), and Suillus collitinus (M5) together on HCT116 were investigated. Read More

Background Diabetic Nephropathy (DN) is the leading cause of the end-stage renal disease (ESRD). Finerenone (with the molecular formula C21H22N4O3) is an oral non-steroidal mineralocorticoid antagonist (ns-MRA) that is both highly potent and has strong selectivity for the MR. At present, it has been used to treat DN. However, the molecular mechanism of finerenone in the treatment of diabetic nephropathy remai Read More

The quinoline scaffold has gained attention for its potential applications in organic synthesis and the medical field.The objective has been to identify quinoline-based hybrids with a range of biological activities, including as anti-tuberculosis, anti-cancer, antimalarial, anti-inflammatory, anti-Alzheimer's, antibacterial, and antidiabetic properties. This review provides a critical overview and highlights the latest development of q Read More

Background Ionic immobilized liquids and multi-component reactions are integral to green chemistry, facilitating the synthesis of biologically active compounds, such as xanthene and acridine derivatives. These approaches have garnered significant attention in recent years. Objective The aim of this study was to synthesize novel xanthene and acridine derivatives with diverse substituents and heterocyclic rings. Furthermore, the r Read More

Backgrounds Advances in nanotechnology have revealed innovative applications in pharmaceutical sciences to solve unmet medical needs. Over the past decades, antibiotic resistance has emerged as a global concern. This catastrophic phenomenon, with a rapid increase in frequency, indicates the urgent need for the introduction of new approaches. In this respect, as a class of inorganic nanomaterials, mesoporous sili Read More