Steered Molecular Dynamics Simulations Study on FABP4 Inhibitors
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28062731
Abstract: Ordinary small molecule de novo drug design is time-consuming and expensive. Recently, computational tools were employed and proved their efficacy in accelerating the overall drug design process. Molecular dynamics (MD) simulations and a derivative of… read more here.
Keywords: dynamics simulations; steered molecular; simulations study; molecular dynamics ... See more keywords
Ligand Growing Experiments Suggested 4-amino and 4-ureido pyridazin-3(2H)-one as Novel Scaffold for FABP4 Inhibition
Sign Up to like & getrecommendations! Published in 2022 at "Pharmaceuticals"
DOI: 10.3390/ph15111335
Abstract: Fatty acid binding protein (FABP4) inhibitors are of synthetic and therapeutic interest and ongoing clinical studies indicate that they may be a promise for the treatment of cancer, as well as other diseases. As part… read more here.
Keywords: growing experiments; amino ureido; experiments suggested; ligand growing ... See more keywords