Exploration of atractylenolide III targeting MDM2/p53 axis in breast cancer cell progression based on network pharmacology, molecular docking and ubiquitination analysis
April 2025
Atractylenolide III (AT III) is a promising drug used for cancer treatment. Herein, this study aimed to explore the anti-tumor mechanism of AT III in breast cancer (BC) associated with murine double...
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Advances in machine learning for optimizing pharmaceutical drug discovery
April 2025
The integration of advanced machine learning methodologies has revolutionized the field of pharmaceutical drug discovery by addressing critical challenges in efficiency, scalability, and accuracy. This...
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Docking and AI-based classification cum recurrent neural network validation for predicting anti-tubercular leads against dprE-1 enzyme targeter
April 2025
Tuberculosis (TB) continues to pose a major global health challenge, highlighting the need for the development of new therapeutic agents....
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Incretin Hormones: Mechanisms, Therapeutic Implications, and Future Directions in Glucose Regulation and Diabetes Management
April 2025
Type 2 diabetes (T2D) is a global health crisis, currently affecting over 540 million individuals. Its prevalence continues to rise due to aging populations, sedentary lifestyles, and unhealthy diets....
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Elucidating the therapeutic mechanisms of Angelica dahurica in knee osteoarthritis: An integrative network pharmacology and molecular docking approach
April 2025
•Multi-target mechanism: Angelica dahurica interacts with multiple targets (e.g., AR, BCL2, ESR1, PLAU, PRKCA, PTGS1, PTGS2) involved in critical pathways such as NF-kappa B signaling and VEGF signaling.•Functional...
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Machine learning-based classification of viral membrane proteins
February 2025
Viral membrane proteins (VMPs) are essential viral components located on the surface of enveloped viruses, playing a critical role during the viral infection of host cells. Based on their structural...
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SP1-mediated WTAP exacerbates the progression of colon adenocarcinoma by m6A methylation of KLK8
February 2025
•KLK8 knockdown repressed COAD cell progression and promotes CD8+ T cell cytotoxicity.•KLK8 silencing blocks tumorigenesis of COAD in vivo.•WTAP knockdown inhibits COAD progression by regulating KLK8...
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Design, synthesis, and theoretical studies of sulfonylated purine derivatives as EGFR inhibitor
February 2025
Four novel 6-amino-9-sulfonyl-purine derivatives were synthesized and characterized by 1H-NMR, 13C NMR, IR, and Mass spectral analyses. Further DNA binding studies were performed with the synthesized...
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An in-silico approach for structural and functional annotation of an uncharacterized protein of human papillomavirus (HPV)
February 2025
Human papillomavirus (HPV) is the predominant viral infection, which causes various new cancer cases globally each year, encompassing cervical and various other cancer types. HPVs have developed throughout...
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Advances in bioinformatics techniques for ophthalmic diseases
February 2025
As the population ages and lifestyles evolve, the prevalence of ophthalmic diseases such as diabetic retinopathy, age-related macular degeneration, and glaucoma continues to rise, imposing a significant...
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