Tag: molecular docking

A computational study predicts that the tire antioxidant 6PPD may bind multiple lung-cancer-related proteins and nominates three diagnostic gene biomarkers.

A new study identifies the hepatic protein Orm2 as a direct target of olanzapine, linking the drug's binding and suppression ...

A C-terminal fragment of the Aedes albopictus salivary protein 34k2 binds DENV-2 virions with high affinity and enhances viral replication ...

Researchers in India synthesized five new piperidin-1-yl-phenyl-acetamide derivatives and found that the 2,5-dimethyl compound AS-5 showed the strongest acetylcholinesterase inhibition, ...

A computational study combining transcriptomics, machine learning and single-cell analysis identifies CYP1B1 as a potential functional target of kaempferol in ...

A computational study generated nearly 16,000 nirmatrelvir analogues and a similarity-based binding score to prioritize candidate inhibitors of the MERS-CoV ...

A preclinical study reports that potato peel extract protected liver cells and chicken embryos from acetaminophen injury by modulating inflammatory, ...

A newly synthesized bis-coumarinyl methane derivative, 14e, inhibits tyrosinase more potently than kojic acid in laboratory and computational studies.

A new study combining network pharmacology, molecular docking, and H9C2 cell experiments found that low-dose Ponatinib significantly reduced high-salt-induced hypertrophy ...

A preliminary study found that aqueous Spondias mombin bark extract inhibited growth of oral bacterial isolates in a concentration-dependent manner, ...