In-silico molecular interactions among the secondary metabolites of Caulerpa spp. and colorectal cancer targets.

ABSTRACT: Caulerpa spp. secrete more than thirty different bioactive chemicals which have already been used in cancer treatment research since they play a pivotal role in cancer metabolism. Colorectal cancer is one of the most common cancer types, thus using novel and effective chemicals for colorectal cancer treatment is crucial. In the cheminformatics pipeline of this study, ADME-Tox and drug-likeness tests were performed for filtering the secondary metabolites of Caulerpa spp. The ligands which were selected from the ADME test were used for in silico molecular docking studies against the enzymes of the oxidative branch of the pentose phosphate pathway (glucose-6-phosphate dehydrogenase and 6-phosphoglutarate dehydrogenase), which is of great importance for colorectal cancer,

SUBMITTER: Mert-Ozupek N 

PROVIDER: S-EPMC9763605 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature