… This study aimed to examine the metabolic profile and anti-trypanosomal effect of methanol
… in silico analysis of the dereplicated compounds (ie inverse docking, molecular dynamic …

… this species, and nothing is traced about its metabolite profile. … , emphasing the underlying
molecular mechanism and its in vitro … supported by metabolic profiling and molecular docking. …

… In this work, we report the metabolomic identification of … , and conduct a molecular docking
analysis with typical compounds. … Molecular docking showed important interactions between …

… through UPLC-MS metabolomics profiling, followed by molecular docking in order to explore
the chemical compounds that might contribute to the anti-Alzheimer and antioxidant activity. …

… Our analysis of the metabolic profile of A. halimus confirmed the majority of methanolic
extracts are fatty acids such as palmitic acid, oleic acid, and stearic acid, as well as sugar …

… Docking Study In this study, we used a molecular docking technique to predict potential
mechanisms of action of the identified compounds acting as an antiulcer. Twenty-three …

… metabolite with antiobesity potential via molecular docking studies. A total of 79 compounds
were identified in CTK based on the untargeted metabolomic profiling … the molecular docking …

… use and that revealed the molecular mechanism of action in … pharmacology analysis together
with molecular docking and in … Molecular docking revealed that catechin gallate possessed …

… metabolic profiling was performed to underline the bioactive compounds involved in the activity.
An in silico molecular docking … screened against three different protein targets which are …

… The metabolomic profiling of the 5 extracts lead to the identification of 27 compounds in …
Molecular docking proved the different affinities of our metabolite towards different targets. …