Tag: molecular docking

New research shows that bufalin, a steroid from traditional Chinese toad venom, suppresses melanoma growth, metastasis and angiogenesis by reducing ...

A new framework called LLM-H2G fuses large language model semantics with hypergraph contrastive learning to predict herb–disease associations, outperforming existing ...

A new network pharmacology study identifies 14 tea phytochemicals that strongly bind the cancer- and metabolism-linked hub proteins PIK3CA, AKT1, ...

A new investigation traces a fatal family poisoning in China to Datura stramonium seedlings mistaken for edible wild vegetables, combining ...

A new study combines computational modeling and cell-based experiments to show that the plant compound zerumbone suppresses IL-10–driven JAK–STAT signaling ...

Researchers have computationally designed a multi-epitope vaccine candidate against Toxoplasma gondii built from six dense granule antigens, with the lead ...

Researchers have identified a morpholine-substituted chalcone, TC12, that inhibits monoamine oxidase B at 11 nanomolar with over 3,600-fold selectivity and ...

A DFT-driven study of the antihistamine hydroxyzine reveals a nonlinear optical response several times stronger than urea, hinting that everyday ...

A new rat study finds that monotropein, a compound from the medicinal plant Morinda officinalis, protects the brain from ischemia/reperfusion ...

A network toxicology and machine learning study identifies four genes through which the environmental carcinogen benzopyrene may drive prostate cancer ...