Identification of PTP1B regulators from Cymbopogon citratus and its enrichment analysis for diabetes mellitus.

ABSTRACT: PTP1B is identified as the insulin signaling pathway downregulator; involved in pancreatic β-cell apoptosis. Further, it associates in regulating multiple pathways in diabetes mellitus; kindled us to identify the binding affinity of bioactives from Cymbopogon citratus by targeting PTP1B and identify the probably associated with it; further identifying the probable pathways involved in diabetes mellitus. In this regard, ChEBI database was used to retrieve bio-actives from C. citrates and 3D structures for the same were obtained from the PubChem database. The energy of bioactives was minimized and converted into ligand and the docking was carried using autodock 4.0 against PTP1B. Further, multiple characters of bio-actives like drug-likeness score, ADMET profile, probable adver

SUBMITTER: Dwivedi PSR 

PROVIDER: S-EPMC8039068 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature