Advancements in minimally invasive transdermal drug delivery systems
April 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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Simulation, 3D-QSAR, molecular docking and pharmacophore mapping studies on indole derivatives as aromatase inhibitors
January 2025
Aromatase inhibition is a proven strategy for the treatment of ER+ breast cancer, which accounts for more than 70 % of cases of breast cancer. Indole-based aromatase inhibitors have changed the dynamics...
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AI-driven in silico discovery, design, and evaluation of novel antiviral candidates targeting Marburg virus nucleoprotein for advanced therapeutic development
March 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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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
April 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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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
March 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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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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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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Drug designing and synthesis of novel diphenyl 1,3,4 oxadiazoles: Multi-targeted therapeutics for the treatment of malassezia-induced dandruff
January 2025
This article explores the potential of novel Diphenyl 1,3,4-oxadiazole as an anti-dandruff agent against Malassezia species. Mono-, di-, and triglycerides generated from human skin sebum are broken...
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Development and evaluation of optimized molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil
April 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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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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Formulation, antimicrobial, and antioxidant effect of anti-acne serum containing extracts of striata scrophularia and rosemary plants
Available online 8 July 2025
Infectious diseases like acne, caused by bacteria and fungi, are prevalent worldwide. The rise of antibiotic-resistant bacteria has prompted the search for natural alternatives....
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In silico and in vitro investigation of anticancer effect of novel anthraquinone compound on MDA-MB-231 cells
May 2025
The serious adverse effects of chemotherapeutics forced to produce new bioactive substances such as anthraquinone derivatives....
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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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Synthesis, computational studies of new thymol derived chalcones and their benzotriazoles as antimicrobial agents
March 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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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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Exploration of the mechanism of quercetin against GDM based on network pharmacology and molecular docking
January 2025
Gestational diabetes mellitus (GDM) is among the most common complications in pregnancy, endangering both the mother and the fetus. Quercetin demonstrated anti-hyperglycemic effects. Our research aimed...
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Novel antimalarial 2-substituted quinoline thiosemicarbazone derivatives: Rational designing, molecular docking studies, ADME-tox properties, synthesis & in vitro activity
May 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
April 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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Computational and biological perspective of phytoconstituents and their synthetic derivatives in antidiabetic therapy
May 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.
April 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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Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis
January 2025
To investigate the mechanisms of Yangxuetongmai Decoction in treating essential hypotension using network pharmacology, Mendelian randomization, and molecular docking strategy analysis....
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The mechanisms of Mahuang decoction in treating COPD: Insights from network pharmacology and in vivo studies
April 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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Susceptibility testing of Escherichia coli and Salmonella enterica to plant essential oils and commercial antibiotics
Available online 8 July 2025
Antimicrobial resistance (AMR) is a global emergency linked to the indiscriminate use of drugs and can be transmitted through food, posing risks to human health. This study aimed to evaluate the antimicrobial...
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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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