Chordoma is an unique and aggressive bone malignancy along with limited therapeutic options, largely due to the undruggable nature of the TBXT oncoprotein. In this study, we employed an AI-assisted drug discovery approach to optimize β-sitosterol fro...
Metabolomics : Official journal of the Metabolomic Society
Nov 15, 2025
INTRODUCTION: Identifying the phytochemistry underpinning a plant's observed therapeutic benefits is essential for understanding mechanisms of action and developing novel therapeutics. More recent efforts fusing global metabolomics and multivariate p...
Different mango cultivars exhibit distinct characteristics in food quality and nutraceutical value, influencing both market potential and consumer preference. We hypothesized that genotype-driven variation in metabolites underpins these quality diffe...
Plant foods for human nutrition (Dordrecht, Netherlands)
Oct 29, 2025
Quinoa (Chenopodium quinoa Willd.) is a valuable source of bioactive compounds with therapeutic potential, including peptides, saponins, and polyphenols. In recent years, in silico tools have emerged as key strategies for predicting, characterizing, ...
Epilepsy is one of the most prevalent neurological disorders, affecting approximately 23 million people in Asia alone. It is a disorder with severe social impacts and is going to progressively damage the brain. It encompasses a wide range of syndrome...
CONTEXT: Modern medication discovery is undergoing a paradigm change at the junction of herbal pharmacology with computational modeling informed by quantum theory. Herbal compounds, which have often been considered as complex and poorly understood en...
Prostate cancer (PC) is one of the most common types of malignancies in men, with a noteworthy increase in newly diagnosed cases in recent years. PARP1 is a ubiquitous nuclear enzyme involved in DNA repair, nuclear transport, ribosome synthesis, and ...
The present study revealed the higher extraction potential of sustainable choline chloride (ChCl) and ethylene glycol (EG) based deep eutectic solvent (DES) from Mentha arvensis via microwave irradiation. The categorical boosting (CatBoost) machine l...
Magnaporthe oryzae stands as a notorious fungal pathogen responsible for causing devastating blast disease in cereals, leading to substantial reductions in grain production. Despite the usage of chemical fungicides to combat the pathogen, their effec...
Emerging multidrug-resistant (MDR) strains are the main challenges to the progression of new drug discovery. To diminish infectious disease-causing pathogens, new antibiotics are required while the drying pipeline of potent antibiotics is adding to t...
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