In silico activity and ADMET profiling of phytochemicals from Ethiopian indigenous aloes using pharmacophore models.

ABSTRACT: In silico profiling is used in identification of active compounds and guide rational use of traditional medicines. Previous studies on Ethiopian indigenous aloes focused on documentation of phytochemical compositions and traditional uses. In this study, ADMET and drug-likeness properties of phytochemicals from Ethiopian indigenous aloes were evaluated, and pharmacophore-based profiling was done using Discovery Studio to predict therapeutic targets. The targets were examined using KEGG pathway, gene ontology and network analysis. Using random-walk with restart algorithm, network propagation was performed in CODA network to find diseases associated with the targets. As a result, 82 human targets were predicted and found to be involved in several molecular functions and biological processes.

SUBMITTER: Bultum LE 

PROVIDER: S-EPMC9789083 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature