Marine-Based Candidates as Potential RSK1 Inhibitors: A Computational Study.

ABSTRACT: Manzamines are chemically related compounds extracted from the methanolic extract of Acanthostrongylophora ingens species. Seven compounds were identified by our research group and are being characterized. As their biological target is unknown, this work is based on previous screening work performed by Mayer et al., who revealed that manzamine A could be an inhibitor of RSK1 kinase. Within this work, the RSK1 N-terminal kinase domain is exploited as a target for our work and the seven compounds are docked using Autodock Vina software. The results show that one of the most active compounds, Manzamine A N-oxide (5), with an IC₅₀ = 3.1 μM, displayed the highest docking score. In addition, the compounds with docking scores lower than the co-crystalized li

SUBMITTER: AlTarabeen M 

PROVIDER: S-EPMC9822162 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature