The Epidermal Growth Factor Receptor (EGFR) is a significant target in cancer therapy as it facilitates tumor proliferation and persistence. EGFR Tyrosine Kinase Inhibitors (TKIs) have been shown to be effective in clinical settings, but resistance mutations limit their long-term effectiveness. As a result, there remains a need for new and more effective EGFR inhibitors. We synthesized a chemical library by adding 15 different R groups to a urea-aryl hydrazone core at the two para positions. This gave us 81 different structures. To determine pIC₅₀ values, molecular fingerprints were generated using PaDEL-Descriptor and subsequently used as input features for a pre-trained Random Forest regression model. Afterward, molecular docking and 100-nanosecond molecular dynamics simulations were used to assess the best candidates' ability to bind to the EGFR kinase structure and their stability. The scaffold-based enumeration yielded 81 compounds with distinct structures. A machine learning approach with a random forest model identified potential candidates with pIC₅₀ values greater than 6, indicating active status. Docking studies have demonstrated the stability of compounds that form hydrogen-bond interactions and hydrophobic contacts, comparable to those of Erlotinib. Molecular dynamics simulations have been employed to validate that these candidate complexes maintain stable interactions during the simulation time. The computational approach has identified potential lead molecules with stable binding poses and predicted their activity from inhibitory concentrations, yielding results comparable to those of approved drugs. The analysis based on selective halogenation substitution enhanced the stability of interactions, preserving the major hinge-region interaction as a hydrogen bond. The technique would offer a more comprehensive approach for prioritizing lead molecules and for refining new EGFR inhibitors. This research demonstrates the integration of scaffold-based chemical design and machine learning. Atomistic simulations speed up the search for EGFR inhibitors. This process produces drug-like candidates that are expected to perform effectively and remain stable, facilitating additional testing and improving cancer research.

Cancer remains a leading cause of mortality worldwide, with conventional treatments like chemotherapy and radiotherapy often causing significant side effects. Natural compounds, such as Umbelliprenin (UMB) and Auraptene (AUR) from the Ferula genus, have shown promising anticancer properties with reduced toxicity. This review compares their efficacy against various cancers, focusing on their mechanisms and potency. Relevant studies were retrieved from databases including PubMed, Scopus, and Web of Science until the end of February 2025. Articles were screened by two independent researchers, excluding studies with synthetic modifications. Key findings on UMB and AUR's anticancer effects were analyzed and summarized. Both UMB and AUR exhibit significant anticancer effects across multiple cancer types, including breast, colon, gastric, lung, and others. UMB inhibits tumor growth by inducing apoptosis, arresting the cell cycle, and modulating pathways such as Wnt, NF-κB, and PI3K/Akt. It shows moderate potency (average IC50: 314 μM in breast cancer). AUR demonstrates higher potency (average IC50: 85.2 μM in breast cancer), targeting apoptosis, angiogenesis, and metastasis via pathways such as AMPK, mTOR, and ROS modulation. AUR also enhances chemoradiotherapy sensitivity and inhibits cancer stem cell markers. UMB and AUR are promising natural anticancer agents, with AUR showing superior potency, particularly in breast cancer, due to lower IC50 values and broader mechanistic effects. Further research is needed to optimize their delivery and clinical application.

Saffron, derived from the Crocus sativus plant, has been revered for centuries for its culinary, medicinal, and cultural significance. This review provides a comprehensive overview of saffron's chemical constituents and phytochemistry, elucidating its rich profile of bioactive compounds. Emphasis is placed on exploring the bio-accessibility, bioavailability, and bioactivity of saffron's phytochemicals, laying the foundation for understanding its pharmaceutical significance. The pharmaceutical importance of saffron and its phytochemicals is thoroughly examined, focusing on their diverse therapeutic properties. These include anticancer, antidiabetic, antioxidant, antimicrobial, anti-inflammatory, antinociceptive, anticonvulsant, antidepressant, learning and memory enhancement, cardiovascular, and antihypertensive properties. Such multifaceted pharmacological activities underscore saffron's potential as a valuable medicinal resource. Clinical studies investigating the efficacy and safety of saffron in various health conditions are synthesized, providing insights into its clinical applications. Moreover, toxicity assessments in animal models, encompassing acute, subacute, subchronic, and developmental toxicity, are discussed to delineate the safety profile of saffron and its bioactive constituents. Finally, recent advances and future perspectives in saffron research are highlighted, underscoring emerging trends and potential avenues for further exploration. This review serves as a comprehensive resource for researchers, clinicians, and stakeholders interested in harnessing the therapeutic potential of saffron while ensuring its safe and effective utilization in healthcare settings.

Psoriasis is a chronic autoimmune skin disease characterized by hyperproliferation of keratinocytes and excessive inflammation, resulting in erythema, scaling, and thickening of the epidermis. Traditional topical and systemic therapies are limited by inadequate skin penetration, systemic toxicity, and poor drug bioavailability. Over the past decade, nanocarrier-based drug delivery systems, such as liposomes, solid lipid nanoparticles (SLNs), polymeric nanoparticles (PNPs), and ethosomes, have emerged as promising approaches to overcome these challenges. These nanocarriers enhance drug stability, prolong release, and enable targeted delivery to psoriatic lesions, thereby improving therapeutic efficacy while minimizing side effects. This review highlights recent progress in nanocarrier-based formulations for treating psoriasis, with emphasis on their mechanistic advantages, formulation strategies, and therapeutic outcomes. Liposomes and ethosomes promote drug permeation across the skin, whereas SLNs and PNPs offer improved drug retention and controlled release. Recent studies demonstrate that nanocarriers can efficiently encapsulate corticosteroids, immunomodulators, and anti-inflammatory agents, leading to better clinical results. Despite these advancements, challenges, such as low drug-loading capacity, stability issues, and difficulties in large-scale production, remain. Future research should focus on stimulus-responsive nanocarriers, surface-functionalized delivery systems, and AI-based optimization to advance precision medicine strategies. With ongoing innovation, nanotechnology holds significant potential to transform psoriasis management by enabling safer, more effective, and patient-friendly treatments.

This review highlights the emerging role of polysaccharide-based nanocarriers in enhancing vaccine delivery and immune responses. It examines how these nanocarriers address key challenges in vaccine development, including antigen instability and suboptimal immune activation. Polysaccharide nanocarriers offer distinct advantages: improved antigen stability, controlled release, targeted delivery, stimulation of both humoral and cellular immunity, and excellent biocompatibility and biodegradability. Various types are discussed, such as chitosan and its derivatives (carboxylated and quaternized), mannose-based, glucan-based, and inulin-based adjuvants. The review also explores polysaccharides from Chinese medicinal herbs-like lentinan, astragalus, and angelica polysaccharides, for their adjuvant and delivery properties. Case studies demonstrate how these systems enhance immune responses across different vaccines. The authors suggest that polysaccharide nanocarriers could enable next-generation vaccination strategies that are more effective, stable, and safer than current adjuvants. However, they stress the need for further optimization, mechanistic understanding, and clinical validation before widespread adoption. In conclusion, polysaccharide nanocarriers show great promise as innovative platforms for vaccine delivery and immunomodulation, but additional research is essential to fully realize their potential in clinical settings.

Inflammatory bowel disease (IBD) is comorbid with behavioral disorders like autism spectrum disorder (ASD). Neuroinflammation is involved in the pathophysiology of ASD. Diosgenin has pharmacological properties. We aimed to assess the potential properties of diosgenin in mitigating comorbid autistic-like behaviors with colitis in mice, focusing on its probable effects on the neuroinflammatory response in the hippocampus. Colitis was induced using acetic acid. Forty male mice were divided into five groups and treated intraperitoneally for seven continuous days with 0.9% saline containing Tween 20 at a concentration of 2% (10 ml/kg) or diosgenin (25, 50, and 100 mg/ kg). Behavioral tests, including sociability and social preference indexes, passive avoidance memory, and aggressive-like behaviors, were assessed. Then, the colon and hippocampus were dissected out. A microscopic evaluation of the colon was done. RT-PCR measured TLR4, TNF-α, IL-1β, and NLRP3 gene expression in the hippocampus and colon. Colitis is associated with histopathological alterations in the colon and an increase in the gene expression of inflammatory mediators in the colon. Colitis reduced sociability and social preference indexes, impaired passive avoidance memory, and increased aggressive-like behaviors. These behaviors are accompanied by increased gene expression of inflammatory mediators in the hippocampus. Diosgenin mitigated the negative effects of colitis on the hippocampus and colon. Diosgenin attenuated inflammatory responses in the colon, autistic-like behaviors, and expression of genes relevant to neuroinflammation in the hippocampus following colitis. Diosgenin likely alleviated autistic-like behaviors following colitis, possibly through the reduction of inflammatory gene expressions in the hippocampus.

Glucagon-like peptide-1 receptor agonists (GLP-1 RAs) are among the most effective treatments for type 2 diabetes mellitus (T2DM). GLP-1 RAs stimulate pancreatic receptors, improving glycemia by boosting insulin secretion while decreasing glucagon secretion. GLP-1 receptors are present in pancreatic tissue. They are also found in extra-pancreatic tissue and have been shown to reduce body weight while also protecting the heart and endothelial cells. The most prevalent types of GLP-1 RAs can be injected twice daily (exenatide), once daily (lixisenatide and liraglutide), or once weekly (albiglutide, dulaglutide, exenatide once, semaglutide, tirzepatide). GLP-1 receptor agonists also reduce gastric emptying, preventing substantial post-meal glycaemic increases. Many publications have been written regarding GLP-1 RAs, covering various features of this family. However, the purpose of this study is to investigate the pharmacological design models and pharmacokinetic characteristics of the most regularly used members of this class, as well as to highlight contemporary developments in GLP-1 RAs. It also describes the physicochemical features, techniques of manufacture, the effects of molecular structure, and structural modifications on pharmacological activity. The literature review was completed using a structured approach to identify and integrate relevant literature. It involved a broad search of reputable medical databases using inclusion and exclusion criteria. They are classified as short-acting or long-acting based on the length of their action. Short-acting GLP-1 RAs and long-acting GLP-1 RAs have differing efficacy profiles. Furthermore, the methods of administration, mode of action, and side effects of these medications are relevant to their pharmacological design and pharmacokinetic properties. The treatment of type 2 diabetes and obesity has evolved with the advent of GLP-1 RAs. These drugs have a multifaceted approach, emphasizing glycemic regulation, weight loss, and reduction of cardiovascular risk. Their unique mode of action, strong safety profile, and ability to be individualized according to each patient's needs make them a valuable therapeutic option in the management of metabolic disorders. Their pharmacological activities are also influenced by their different structural and pharmacokinetic properties. GLP-1 RAs have a complex strategy due to their pharmacological nature. The variations in their design have led to various members with varying pharmacodynamic and pharmacokinetic features.

Brazil has the greatest biodiversity on the planet, and a rich ethnic and cultural diversity, which provides a variety of medicinal plants for use in the development of new therapies. Among the various species found in Brazil, copaiba (Copaifera L.) has been used since the 16th century as an antiinflammatory and curative agent, as well as for esoteric purposes such as aphrodisiacs and contraceptives. This review aimed to map and characterize pharmaceutical systems containing copaiba oil for topical uses that provide therapeutic benefits. The Joanna Briggs Institute guidelines were followed in this scoping review. Several databases were investigated, and studies containing different pharmaceutical systems were included, regardless of their language, design, or year. The selection of the studies and data extraction were performed independently by the reviewers. Twenty-two studies met the eligibility criteria and were analyzed for the pharmaceutical systems developed and the therapeutic effects assessed. Nine different pharmaceutical dosage forms and six therapeutic effects were investigated, with antimicrobial action being the most common research target. Copaiba oil can be used in different pharmaceutical formulations and has the potential to exert different topical therapeutic effects.

Influenza viruses pose a significant global health threat due to their rapid mutation and resistance to conventional therapies. This study uses network pharmacology and computational approaches to explore the multitarget antiviral potential of Artemisia annua against influenza. Seventeen bioactive compounds from A. annua were screened for drug-likeness and non-toxicity via ADMET/Protox analyses. Using network pharmacology, 194 common targets between A. annua compounds and influenzarelated genes were identified, with hub genes TNF, AKT1, SRC, EGFR, and STAT3 implicated in immune modulation and viral replication. Molecular docking revealed strong binding affinities (docking scores: -6.5 to -15 kcal/mol) between key compounds (e.g., bauerenol, 6-epi-β-bisabolol) and influenza-associated proteins, outperforming controls like baloxavir marboxil. Molecular dynamics simulations over 100 ns demonstrated stable ligand-receptor complexes, with RMSD fluctuations ≤6 Å and favorable MM-GBSA binding energies (-50 to -150 kcal/mol). Findings of this study suggest that A. annua exerts synergistic, multitarget antiviral effects via its bioactive compounds, with several components outperforming conventional therapies in computational assays. A. annua primarily disrupts viral pathogenesis through immunomodulation and direct antiviral mechanisms. This study provides robust computational evidence for the therapeutic potential of A. annua against influenza, identifying critical compound-target-pathway interactions. Further experimental validation is recommended to confirm efficacy and translation of insights into clinical applications.

The synthesis of silver nanoparticles in an environmentally sustainable method is becoming more and more crucial for uses in food safety and medicine. In this work, a peppermint essential oil nanoemulsion (PEON) is used to optimize the green synthesis of silver nanoparticles (AgNPs) employing response surface methodology (RSM). PEON was utilized as the reducing and stabilizing agent in the synthesis of AgNPs. Silver nanoparticles were generated under ideal conditions (1 mM AgNO₃, 85.75 minute reaction time, 61.41°C heating temperature, 5.28 mL PEON, and 5.36 mL AgNO₃), and their formation, size, stability, and capping by plant-derived compounds were validated by UV-Vis spectroscopy (λmax = 415 nm), transmission electron microscopy (TEM) (mean particle size = 15.73 nm), zeta potential (ζ = +16.7 mV), PDI (0.2031), and FT-IR analysis. The improved process produced a consistent, stable, and uniformly distributed sample of AgNP, which has been produced through the refinement of synthesis. The synthesis of NPs was validated via a UVVis spectrophotometer, indicating the formation of AgNPs at about 415 nm. The PEON-derived AgNPs showed high levels of antioxidant activity (38.99%), antifungal properties, and antibacterial activity against Staphylococcus aureus (12.3 mm zone of inhibition). Therefore, these AgNPs may potentially have applications in the pharmaceutical or food safety industries. An efficient platform for the environmentally friendly synthesis of AgNPs is provided by PEON, and RSM allows for the optimization of synthesis parameters. The resultant NPs show potential for industrial development because of their relevant physicochemical characteristics and bioactivity. To enable wider functional use, more research should investigate scalability, long-term stability, and expanding applications. Employing PEON, RSM effectively improved the green synthesis of bioactive, stable AgNPs. These results exhibit the potential of an environmentally friendly strategy for upcoming advancements in food safety and pharmaceuticals.