Abstract
A series of pyrimidine were synthesized, characterized and evaluated for their antioxidant properties using the human cyclin-dependent 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.
Highlights
The development of degenerative diseases like atherosclerosis, ischemic heart disorders, ageing, diabetes mellitus, cancer, and many more is largely attributed to oxidative stress [1]
The antioxidant potential of test sample was measured by estimating the reduction in the absorbance of methanolic solution of DPPH A stock solution of DPPH (33mg in 1L) was prepared using methanol and 5ml of this stock solution was added to 1 ml of test at various concentrations (500, 250, 125, 62.5, 31.5μg/ml)
Target molecule was download (*.pdb format) and polar hydrogens were added while water molecules were removed by using AutoDock Tools (ADT)
Summary
Declaration on Publication Ethics: The author’s state that they adhere with COPE guidelines on publishing ethics as described elsewhere at https://publicationethics.org/. The authors undertake that they are not associated with any other third party (governmental or non-governmental agencies) linking with any form of unethical issues connecting to this publication. The authors declare that they are not withholding any information that is misleading to the publisher in regard to this article. Author responsibility: The authors are responsible for the content of this article. The editorial and the publisher have taken reasonable steps to check the content of the article in accordance to publishing ethics with adequate peer reviews deposited at PUBLONS. Declaration on official E-mail: The corresponding author declares that official e-mail from their institution is not available for all authors
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