Title
Molecular docking analysis of selected pyrimidine derivatives with human cyclin-dependent kinase 2
Authors
1,2R. Bharathi & 1,2N. Santhi*
Affiliation
1Research and development centre, Bharathiar University, Coimbatore, 641046, India; 2Department Of Chemistry, Govt Arts College, C. Mutlur, Chidambaram 608102, India
N Santhi - E-mil: nsanthigac@gmail.com; *Corresponding author
Article Type
Research Article
Date
Received April 30, 2021; Revised July 14, 2021; Accepted July 14, 2021, Published July 31, 2021
Abstract
A series of pyrimidine were synthesized, characterized and evaluated for their antioxidant properties using the human cyclindependent kinase-2 protein model. Data shows that the pyrimidine derivatives (compound ID 4G) with para fluoro groups substitution at phenyl ring attached to the 4th position (IC50: 98.5μg/ml), compound 4B bearing hydroxy group at para position of phenyl ring (IC50: 117.8 μg/ml) have significant antioxidant activity. Docking data infer that compounds 4c, 4a, 4h and 4b possess binding energy (-7.9, -7.7, -7.5 and -7.4 kcal.mol-1) with 1HCK (PDB ID) receptor.
Keywords
Chalcone, pyrimidine, spectral characterization, anti oxidantant activity, DPPH
Citation
Bharathi & Santhi, Bioinformation 17(7): 680-685 (2021)
Edited by
P Kangueane
ISSN
0973-2063
Publisher
License
This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
