RATIONAL DESIGN OF PYRIMIDINE DERIVATIVES AS ANTICANCER AGENT

Pyrimidine is a six membered aromatic heterocyclic compound containing two nitrogen atom at position 1 & 3. Pyrimidine derivative has been used in drugs for various diseases. in this ,we use insilico drug design techniques to determine pharmacokinetics properties and binding affinity of 2 amino[1,3] thiazolo [4,5-d] pyrimidine5,7 [4h,6h]-dione and 4,6dimethy l-2 phenyl [1,3] oxozolo [4,5-d] pyrimidine-5,6 [4h,6h]-dione. The molecular structure were drawn using chemsketch, followed by prediction of pharmacokinetics properties by swiss ADME. The binding affinity was by using the docking software PyRx. Among this the compound 4, 6-dimethyl 2-phenyl [1,3] oxazolo [4,5-d] pyrimidine -5,7 [4h,6h]-dione has better anti-cancer activity based on binding affinity.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-05-29
DOI
https://doi.org/10.5281/zenodo.20444909
Primary Topic
Cancer and biochemical research
Type
article
Field-Weighted Citation Impact
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article

RATIONAL DESIGN OF PYRIMIDINE DERIVATIVES AS ANTICANCER AGENT

Afeefa N., Hana Asees T. C., Mohammed Anzal Rahamathulla, Anju Palanaden et al.
Zenodo (CERN European Organization for Nuclear Research)
Cancer and biochemical research
article

RATIONAL DESIGN OF PYRIMIDINE DERIVATIVES AS ANTICANCER AGENT

Afeefa N., Hana Asees T. C., Mohammed Anzal Rahamathulla, Anju Palanaden, Swathi S.
article en

Abstract

Pyrimidine is a six membered aromatic heterocyclic compound containing two nitrogen atom at position 1 & 3. Pyrimidine derivative has been used in drugs for various diseases. in this ,we use insilico drug design techniques to determine pharmacokinetics properties and binding affinity of 2 amino[1,3] thiazolo [4,5-d] pyrimidine5,7 [4h,6h]-dione and 4,6dimethy l-2 phenyl [1,3] oxozolo [4,5-d] pyrimidine-5,6 [4h,6h]-dione. The molecular structure were drawn using chemsketch, followed by prediction of pharmacokinetics properties by swiss ADME. The binding affinity was by using the docking software PyRx. Among this the compound 4, 6-dimethyl 2-phenyl [1,3] oxazolo [4,5-d] pyrimidine -5,7 [4h,6h]-dione has better anti-cancer activity based on binding affinity.

Zenodo (CERN European Organization for Nuclear Research)
Kannur Medical College (IN)
Good health and well-being
Openalex Percentile: Top 9%
Cancer and biochemical research
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