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...
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...
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....
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...
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...
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...
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...
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....
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...
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...
Integrating the summary data-based mendelian randomization and transcriptomic analysis identifies candidate genes and repositioning targets for asthma
June 2025
Notwithstanding considerable progress in comprehending the molecular mechanisms and therapeutic approaches for asthma, it continues to be a widespread public health issue worldwide, resulting in considerable...
Comprehensive omics profiling in acute myeloid leukemia: From molecular landscape to clinical translation
June 2025
Acute Myeloid Leukemia (AML) is a molecularly heterogeneous hematologic malignancy driven by diverse genetic, epigenetic, and transcriptomic alterations. Recent advancements in high-throughput omics...
Targeting the unexplored 'dark proteome': Novel approaches in drug discovery
June 2025
The dark proteome, consisting of disordered, transient, and flexible regions of proteins, remains largely unexplored despite its potential for novel drug discovery. These regions, which lack stable...