{Reference Type}: Journal Article
{Title}: X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8.
{Author}: Hamed A;Ismail M;El-Metwally MM;Frese M;Stammler HG;Sewald N;Shaaban M;
{Journal}: Nat Prod Res
{Volume}: 33
{Issue}: 1
{Year}: Jan 2019
{Factor}: 2.488
{DOI}: 10.1080/14786419.2018.1431642
{Abstract}: A re-cultivation of the thermophilic fungus Aspergillus terreus TM8, and working up of its extract afforded the dichloro-benzophenone derivative, dihydrogeodin (1) in addition to the butyrolactones I (2), V (3) and VI (4). A literature surveying revealed one recent structural assignment trial for dihydrogeodin (1), however, with some inaccuracies. We report herein a full assignment of dihydrogeodin (1) using extensive study of 1D, 2D NMR and ESI HR mass data. For the first time as well, we report the planar structure of 1 using X-ray crystallography. Docking and molecular dynamic simulation of dihydrogeodin (1) on the isomerase cyclophilin A has revealed its significant potential activity as an antiviral and immunosuppressive agent.