Design, synthesis, biological evaluation, and molecular docking of some new Thieno[2,3-d] pyrimidine derivatives

被引：18
|
作者：
Tolba, Mahmoud S. [1 ]
Sayed, Ahmed M. [2 ]
Sayed, Mostafa [1 ]
Ahmed, Mostafa [1 ]
机构：
[1] New Valley Univ, Fac Sci, Chem Dept, El Kharja 72511, Egypt
[2] Assiut Univ, Fac Sci, Chem Dept, Biochem Lab, Assiut 71516, Egypt
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2021年 / 1246卷
关键词：
Thienopyrimidines; Synthesis; Antibacterial; Anti-inflammatory; Molecular docking; MELANIN SYNTHESIS; CRYSTAL-STRUCTURE; INHIBITORS; 1,3,4-OXADIAZOLE; OPTIMIZATION; HYDROXY; COX-2;
D O I：
10.1016/j.molstruc.2021.131179
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Due to the biological importance of thienopyrimidine derivatives, we present here a synthetic way for the design of new thienopyrimidines (2-11) using the precursor 2-(4-Oxo-9-phenyl-7-(p-tolylamino)-3,4-dihydropyrimido[4',5':4,5]thieno[2,3-d] pyrimidine-2-yl)acetohydrazide 1 . Spectral analyses techniques (IR,H-1 NMR, and C-13 NMR) were utilized to confirm the structures of all synthesized compounds. All the new compounds were screened for their anti-bacterial and anti-inflammatory activity showing significant results compared to the standard drug. A molecular docking approach was utilized to investigate the proposed molecular mechanism of the antibacterial and anti-inflammatory activity of the synthesized compounds. Drug-like properties were analyzed to highlight the potential oral drug candidates. (C) 2021 Elsevier B.V. All rights reserved.
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页数：9
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