Molecular docking analysis of HER-2 inhibitor from the ZINC database as anticancer agents.
Bioinformation
; 16(11): 882-887, 2020.
Article
in En
| MEDLINE
| ID: mdl-34803263
ABSTRACT
The human epidermal growth factor (HER2) is a transmembrane receptor that is highly expressed in breast cancer and in different other cancers. Therefore, it is of interest to identify the new HER2 inhibitors from a selected 300 compounds in the ZINC database. The top two hit compounds (ZINC000014780728 (-11.0 kcal/mol) and ZINC000014762512 (-10.8 kcal/mol)) showed a high affinity with HER2 relative to the reference compound (lapatinib (-10.2 kcal/mol)) for further consideration.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Type of study:
Prognostic_studies
Language:
En
Journal:
Bioinformation
Year:
2020
Document type:
Article
Affiliation country:
Saudi Arabia
Publication country:
SG
/
SINGAPORE
/
SINGAPUR
/
SINGAPURA