In silico and in vitro investigation of anticancer effect of novel anthraquinone compound on MDA-MB-231 cells
Available online 6 June 2025
The serious adverse effects of chemotherapeutics forced to produce new bioactive substances such as anthraquinone derivatives....
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Novel antimalarial 2-substituted quinoline thiosemicarbazone derivatives: Rational designing, molecular docking studies, ADME-tox properties, synthesis & in vitro activity
Available online 4 June 2025
Malaria remains a dangerous threat to nearly half of the world’s population, with the potential to be life-threatening. The most effective treatment currently available for uncomplicated and severe...
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Network pharmacology and molecular docking to explore the potential mechanism of Congerjingming Decoction against sensorineural hearing loss
Available online 3 June 2025
Established formulations of traditional Chinese medicine (TCM) have shown efficacy in the management of age-related sensorineural hearing loss (SNHL). In this study, we developed a novel TCM, Congerjingming...
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Study on the effect of molecular regulation on oxaliplatin resistance and macrophage polarization in esophageal squamous cell carcinoma based on the multiomics bioinformatic analysis and experimental verification
Available online 2 June 2025
Oxaliplatin (OHP) resistance remains a major therapeutic challenge in esophageal squamous cell carcinoma (ESCC). While Wnt1 inducible signaling pathway protein 1 (WISP1) has been implicated in tumor...
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Computational and biological perspective of phytoconstituents and their synthetic derivatives in antidiabetic therapy
Available online 2 June 2025
The global rise in diabetes has intensified the search for safer, multi-target therapeutic options. Plant-based phytoconstituents and their synthetic derivatives are drawing attention for their promising...
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Pharmacokinetic, synthesis and biological properties of rottlerin: Anticancer mechanism insights.
Available online 2 June 2025
Rottlerin is a natural plant polyphenol derived from the fruit of Mallotus philippensis and is widely recognized as a selective inhibitor of PKCδ. It has attracted significant attention due to its broad...
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The mechanisms of Mahuang decoction in treating COPD: Insights from network pharmacology and in vivo studies
Available online 27 May 2025
Chronic obstructive pulmonary disease (COPD) is a major cause of significant mortality worldwide. Mahuang decoction (MHD), a classic traditional Chinese medicine, has demonstrated encouraging therapeutic...
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Development and evaluation of optimized molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil
Available online 27 May 2025
Our research described in this paper focuses on the development and evaluation of molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil (5-FU)....
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Curcumin-pyrazole a molecular hybrids as potential androgen receptor inhibitors for prostate cancer treatment through molecular docking, ADMET and cytotoxicity prediction, pharmacophore modeling, MDS, and DFT approaches
Available online 27 May 2025
Prostate cancer is a significant cause of cancer-related mortality in men globally. The androgen receptor is a crucial target for drug development. This study investigates curcumin-pyrazole hybrids,...
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Advancements in minimally invasive transdermal drug delivery systems
Available online 23 May 2025
Minimally invasive drug delivery systems (MIDDS) have revolutionized pharmacological therapies by offering substitute techniques that improve therapeutic accuracy and efficacy while reducing pain, discomfort,...
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An update on the role of inflammation in insulin resistance and islet β cell failure- A crosstalk between immune cells, adipose tissue, cytokines, and oxidative stress
Available online 20 May 2025
One of the characteristics of type 2 diabetes mellitus (T2DM) is the growing malfunctioning of β-cells and the presence of insulin resistance. The recent literature on this aspect is reviewed in this...
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Tirofiban plus aspirin in perforating artery cerebral infarction beyond time window: Effects on coagulation and clinical effect
Available online 17 May 2025
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Epigallocatechin gallate impels osteogenic differentiation of human BMSCs by targeting the METTL3/SATB2/Wnt/β-catenin axis
Available online 17 May 2025
Bone marrow mesenchymal stem cells (BMSCs) are pluripotent cell, and its osteogenic differentiation disorder can lead to osteoporosis and seriously affect the quality of life. Epigallocatechin gallate...
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AI-driven in silico discovery, design, and evaluation of novel antiviral candidates targeting Marburg virus nucleoprotein for advanced therapeutic development
Available online 16 May 2025
Marburg virus disease (MVD) is a highly virulent hemorrhagic fever caused by the Marburg virus (MARV), with case fatality rates reaching up to 90 %. Currently, no FDA-approved antiviral drugs exist...
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Synthesis, computational studies of new thymol derived chalcones and their benzotriazoles as antimicrobial agents
Available online 14 May 2025
The ineffectiveness of antimicrobial agents, efforts have been made to synthesize new thymol derived chalcones to treat microbial infections effectively....
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Thymoquinone suppresses cell growth and induces ferroptosis in renal cell carcinoma by reducing SERPINH1 expression
February 2025
Thymoquinone (TQ) plays an important role in regulating cell behaviors of renal cell carcinoma (RCC). Ferroptosis is an iron-dependent cell death involved in cancer repression. Herein, the effect of...
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Computational and experimental evaluation of a dual COX inhibitor: Insights from DFT, molecular simulations, and in-vitro validation
February 2025
Inflammation, a fundamental aspect of numerous chronic disorders, is meticulously regulated by the cyclooxygenase enzymes COX-1 and COX-2, which are essential targets for anti-inflammatory treatments....
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Effect and safety of modified-release insulin-loaded liposome prototypes on glycemia in experimental models of type 1 diabetes mellitus
February 2025
Diabetes mellitus (DM) is a chronic metabolic disorder characterized by abnormal elevation of blood glucose and alterations in insulin release, insulin action, or both....
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The search for the holy grail: In silico design and analysis of a non-sedative third generation, cetirizine-derived H1R anti-histamine with reduced hERG toxicity
February 2025
Second-generation antihistamines, such as cetirizine, are widely used to treat allergic conditions due to their reduced sedation compared to first-generation drugs. However, cetirizine can still cause...
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Puerarin alleviates spinal cord injury by mediating the proliferation and activation of NG2 glial cells
February 2025
Spinal cord injury (SCI) leads to significant brain alterations, the vital factors affecting functional recovery. Accumulating evidence demonstrated the neuroprotective effect of Puerarin (Pur), a natural...
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Exploring the mechanism of Grifolin in inhibiting the malignant progression of colon cancer cells mediated by the PDGFRB/PI3K/AKT signaling pathway based on bioinformatics analysis and network pharmacology
February 2025
Colon cancer is one of the most common malignant tumors worldwide, which seriously threatens human life and health. Grifolin is a small molecule compound that has been shown to inhibit the malignant...
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A comprehensive in-silico approach (pharmacophoric QSAR and docking-based comparative intermolecular analysis) led to identifying new PIM2 kinase inhibitors for treating resistant lymphomas
February 2025
Proviral integration sites of Moloney kinase 2 (PIM2) have emerged as a key target for developing treatments against resistant lymphomas....
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Exploring the mechanism of action of tolvaptan in the treatment of cor pulmonale pulmonary hypertension using network pharmacology and animal-based experiments
January 2025
Cor pulmonale is a heart disease caused primarily by pulmonary hypertension (PH) due to vascular lesions of the broncho-pulmonary tissue or pulmonary arteries. PH is a central link and prerequisite...
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