Promising Cytotoxic butenolides from the Soybean endophytic fungus Aspergillus terreus: a combined molecular docking and in-vitro studies.

Seham S El-HawaryAbeer S MoawadHebatallah S BahrEman Z AttiaMo Men H El-KatatnyMuhamad MustafaAhmed A Al-KarmalawyMostafa E RatebJian-Ye ZhangUsama Ramadan AbdelmohsenRabab Mohammed

Published in: Journal of applied microbiology (2023)

Molecular docking analysis and in vitro assays suggested the CDK2/A2 inhibitory potential of butyrolactone-I (5) in addition to the promising interaction abilities of aspulvinone E (6) with EGFR and FLT3 active sites as a possible mechanism of their biological activities.

Keyphrases

molecular docking
molecular dynamics simulations
tyrosine kinase
small cell lung cancer
acute myeloid leukemia
epidermal growth factor receptor
high throughput
case control
climate change
cell proliferation
cell wall
single cell