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314368

Novel pyrimidine derivatives: Synthesis, Molecular Docking Studies, and structure activity relationship

Article

Last updated: 04 Jan 2025

Subjects

-

Tags

Basic and applied research of Chemistry,

Abstract

Novel 5-substituted uracil have been synthesized as part of a research. The interaction of 6-amino uracil (1) and aromatic aldehyde 2 in conc. hydrochloric acid gives the Novel 5-substituted uracil 3a, b in good yield. The usage of IR, 1H- NMR, 13C- NMR, and mass spectra to examine the composites' structural details. The computational Chemistry program MOE (2015) was used to investigate molecular docking, using reference substance with studying their SAR (structure activity relationship). The database's examination of molecular docking to investigate the proposed a style of action (PDB code: 7JXQ, resolution: 1.83). Although epidermal growth factor receptor small molecule therapy to lung cancer. EGFR allosteric inhibitor that binds to an alternative site on EGFR were developed to treat cancers with mutations in the EGFR that cause resistance to existing ATP-competitive EGFR. The authors also created a tentative molecular docking research that was successful for the produced molecules 3a, b with EGFR enzyme (PDB ID: 7JXQ). Compound 3b more active than compound 3a according to docking and SAR studies

DOI

10.21608/bfszu.2023.181777.1228

Keywords

: 6-aminouracil, Molecular docking, and EGFR

Authors

First Name

Bassant

Last Name

Abdo

MiddleName

Farag

Affiliation

Department of Chemistry, Faculty of Science, Zagazig University, Zagazig 44519, Egypt

Email

dr.bassant.farag94@gmail.com

City

Mit-ghamer

Orcid

0000-0002-5513-9945

Volume

2023

Article Issue

3

Related Issue

38870

Issue Date

2023-10-01

Receive Date

2022-12-18

Publish Date

2023-10-01

Page Start

44

Page End

52

Print ISSN

1110-1555

Link

https://bfszu.journals.ekb.eg/article_314368.html

Detail API

https://bfszu.journals.ekb.eg/service?article_code=314368

Order

4

Type

Original Article

Type Code

838

Publication Type

Journal

Publication Title

Bulletin of Faculty of Science, Zagazig University

Publication Link

https://bfszu.journals.ekb.eg/

MainTitle

Novel pyrimidine derivatives: Synthesis, Molecular Docking Studies, and structure activity relationship

Details

Type

Article

Created At

24 Dec 2024