Current Medicinal Chemistry - Online First

Introduction Triple-Negative Breast Cancer (TNBC) is the most common type of breast cancer (BC). In order to develop effective treatments for TNBC, it is vital to identify potential therapeutic targets. Angiogenesis stimulates tumor growth and metastasis in TNBC, and miR-155 plays a crucial role in this process. The exosome is a nano-sized vesicle that carries many cargoes, including miRNAs. The present study investigated th Read More

Structure-based drug discovery methods, such as molecular docking and virtual screening, have become invaluable tools in developing novel drugs. At the core of these methods are Scoring Functions (SFs), which predict the binding affinity between ligands and protein targets. This study aims to review and contextualize the challenges and best practices in training novel scoring functions to improve their accuracy and generalizab Read More

Plants have historically been a primary source of medicines due to their diverse molecular and structural composition. Plant metabolism, comprising primary and secondary processes, produces primary metabolites crucial for growth and secondary metabolites, or natural products (NPs), with specific biological functions. These small molecules are instrumental in pharmacology for their ability to penetrate biological Read More

This review, focused on hybrid drugs, is the third in a series of reviews, where the first two reviews dealt with a) dimeric drugs, b) mutual prodrugs – codrugs. The compounds designated as hybrids are comprised of two (and sometimes three) biologically active entities, linked by metabolically stable bridges. In some cases, one of the two components of the hybrids serves as a carrier for the second component, and most frequ Read More

In the current review, we aim to elucidate the advancements concerning the roles and fundamental mechanisms of intermittent fasting (IF)> and fasting-mimicking diet (FMD)> in cancers. As a dietary intervention,> IF and FMD> potentially impede tumor growth by modulating multiple signaling pathways, such as AKT, Nrf2, and AMPK pathways.> Moreover, IF and FMD have been reported to be associated with the tumo Read More

Introduction The disability and mortality related to Parkinson's disease (PD), a neurodegenerative disease, are increasing globally at a faster rate than other neurological disorders. With no permanent cure for PD, there is an urgent need to develop novel and effective anti-PD drugs. Method Targeting monoamine oxidases (MAO), which catalyze the breakdown of neurotransmitters, is one way to treat neurodegenerative disea Read More

Aims We aimed to develop a macrophage signature for predicting clinical outcomes and immunotherapy benefits in cholangiocarcinoma. Background Macrophages are potent immune effector cells that can change phenotype in different environments to exert anti-tumor and anti-tumor functions. The role of macrophages in the prognosis and therapy benefits of cholangiocarcinoma was not fully clarified. Objective Read More

Introduction Parkinson's disease (PD) is a neurodegenerative disorder associated with a progressive loss of dopaminergic cells and as of now, there is no established definitive treatment available for this condition. Method In this study, the focus was on investigating the impact of SVAK-12, a small molecule that can cross the blood-brain barrier and remain stable without structural changes. The effect of SVAK-12 was investigated in Read More

Introduction Alzheimer's disease (AD) is the most common neurodegenerative disease in older people, characterized by the accumulation of beta-amyloid (Aβ) plaques and neurofibrillary tangles composed of aggregated of hyperphosphorylated tau protein, which normally helps stabilize microtubules in neurons. Method Nowadays, artemisinin (ART) as well as its semisynthetic derivatives (ARTs) are seen as potential neuro Read More

Background Tyrosine kinase inhibitors (TKIs) target certain cell signalling pathways, and have become a promising class of medications for the treatment of cancer in recent years. Because of their distinct structure and adaptable chemistry, pyrazolines have drawn a lot of interest from organic and medicinal chemists. Their exceptional TKI activity has prompted them to investigate chemotherapy for cancer. Objective W Read More

Background Polycystic Ovary Syndrome (PCOS) is a common endocrine disorder that negatively affects female reproductive capacity. Although the association between autophagy and PCOS is known, there are few detailed studies on the association between autophagy-related genes and PCOS. Methods Publicly available gene expression datasets (GSE102293, GSE138518, GSE34526, GSE114419, GSE137684, GSE155489) were u Read More

Hypertension, characterized by elevated blood pressure levels, remains a global health concern due to its association with cardiovascular complications, notably thrombosis. Thrombosis, the formation of blood clots within blood vessels, poses a significant risk for myocardial infarction, stroke, and limb ischemia, leading to adverse patient outcomes. Understanding the pathophysiological mechanisms underlying thrombo Read More

Background Skin melanoma is a potentially lethal cancer and ranks as the 17th most common cancer worldwide. Overcoming resistance to advanced-stage melanoma is a significant challenge in its treatment. Parthenolide (PAR) is recognized as a potent anticancer small molecule, yet its potential in treating melanoma is poorly investigated. Objective Our objective was to investigate the apoptotic and anti-metastatic prope Read More

Glioblastoma (GBM) is a malignant primary brain tumor with a poor prognosis and high recurrence rates. At present, the current treatments available for GBM patients can only prolong their overall survival and cannot provide a complete cure. Discovering an effective therapy against the disease is a challenge due to its recurrence and resistance to common available treatments for GBM. Several natural products have bee Read More

Introduction Prolyl-specific oligopeptidase (POP), one of the brain's highly expressed enzymes, is an important target for the therapy of central nervous system disorders, notably autism spectrum disorder, schizophrenia, Parkinson's, Alzheimer's disease, and dementia. Method The current study was designed to investigate 2,4-bis(trifluoromethyl) benzaldehyde-based thiosemicarbazones as POP inhibitors to treat the above- Read More

Aim We focused on the FOXN3 gene and selected its antisense transcripts (FOXN3-AS1) to investigate its potential involvement in acute myeloid leukemia (AML). Background Several integrated multi-omics datasets have expanded the horizons of the cancer landscape. With the emergence of new high-throughput technologies, a large number of non-coding RNAs have been confirmed to be involved in the pathogenesis of differ Read More

Background The development of effective anti-cancer medicines with low side effects is imperative as cancer continues to be a leading cause of death globally. By obstructing the survival and growth of cancer cells, small-molecule medications have made tremendous progress in the field of cancer research. Several bioactive heterocyclic compounds, including derivatives of piperidine and 2,3-dihydrobenzofuran, have shown Read More

The term cancer is used to describe a complex pathology characterized by the uncontrollable proliferation of cells, which displays a fast metastatic spread, being a disease with difficult treatment. In this context, Phosphatidylinositol 3-kinase (PI3K) represents a promising pathway to be inhibited, aiming to develop anticancer agents, since it performs a pivotal role in regulating essential cellular processes, including cell proliferation Read More

Drugs are commonly utilized to diagnose, cure, or prevent the occurrence of diseases, as well as to restore, alter, or change organic functions. Drug discovery is a time-consuming, costly, difficult, and inefficient process that yields very few medicinal breakthroughs. Drug research and design involves the capturing of structural information for biological targets and small molecules as well as various in silico methods, such as m Read More

The use of current anticancer drugs is hampered by significant side effects and high costs. In the pursuit of safer, more effective, and affordable options, researchers have turned to nature as a valuable source of potential anticancer compounds. Quassinoids, a class of natural terpenoids, have garnered attention for their anticancer properties. This comprehensive review aims to shed light on natural quassinoids and their a Read More

Aim We aimed to explore diagnostic biomarkers of postmenopausal osteoporosis (PMOP). Background PMOP brings enormous physical and economic burden to elderly women. Objectives This study aims to screen new biomarkers for osteoporosis, providing insights for early diagnosis and therapeutic targets of osteoporosis. Methods Weighted gene co-expression network analysis (WGCNA) was applied to identify osteo Read More

Introduction Cerebral infarction, the blockage of blood vessels in the brain, is generally an age-related illness. Factors such as unhealthy diets, stressful behaviours and decreased environmental consistency with physiological barriers also contribute to increased casualties. Long-term brain function reconstruction and successful drug therapy are needed. The most frequent malignant brain tumour, glioblastoma, has been lin Read More

Introduction Aspergillus fumigatus, a significant fungal pathogen, poses a threat to human health, especially in immunocompromised individuals. Addressing the need for novel antifungal strategies, this study employs virtual screening to identify potential inhibitors of Fructosamine oxidase, also known as Amadoriase II, a crucial enzyme in A. fumigatus (PDB ID: 3DJE). Method Virtual screening of 81,197 triazole derivatives wa Read More

Phytosomes are innovative compounds that enhance the bioavailability of plant-derived compounds, making them more effective in pharmaceuticals and nutraceuticals. By improving cellular absorption, phytosomes allow lower doses of plant extracts to achieve therapeutic effects, which may reduce both cost and the risk of potential side effects. The incorporation of phospholipids in phytosomes not only sta Read More

Large-scale infectious diseases have become a significant threat to human health and safety. The successful invention of vaccines is the most powerful means for preventing infectious diseases and has greatly improved global human health. Even during the pandemic of COVID-19, which has affected the world, vaccines have played an irreplaceable role. Microneedles (MNs) punctured the stratum corneum and formed mi Read More