Utility of Pyrimidine Thione Derivatives in the Synthesis of Biologically Active Heterocyclic Compounds. (16th March 2023)

• Record Type: Journal Article
• Authors: Zaki, Yasser H.; El-Gendey, Marwa S.; Fouad, Sawsan A.; Mohamed, Hussein S.; Amer, Hamada H.
• Is Part Of: Polycyclic aromatic compounds. Volume 43:Number 3(2023)
• Page Start: 2618
• Page End: 2643
• Publication Date: 2023-03-16
• Subjects: Pyrimidine-2-thiones -- triazolo[4, 3-a]pyrimidines -- molecular docking -- hydrazonoyl halides -- molecular orbital calculations -- antimicrobial activities; Polycyclic aromatic compounds -- Periodicals; 547
• DOI: 10.1080/10406638.2022.2049324
• Languages: English
• ISSNs: 1040-6638

Abstract

Abstract: A new series of thieno[2, 3- b ]pyridine-2-carbohydrazide, 2, 3 dihydropyrido[3′, 2′:4, 5]-thieno[3, 2- d ]pyrimidin-4( 1H )-one, thieno[2, 3- b ]pyridin-2 yl)(3, 5-substituted- 1H -pyrazol-1-yl)methanone, tetrazolopyrimidine, and triazolopyrimdine derivatives have been synthesized. Molecular docking studies were performed on the most active compounds against the aspartic protease from Candida albicnas (1ZAP) and gram-negative ( Salmonella typhimurium ) binding protein (3ZQB) revealed the potential binding mode of the ligands to the site of the appropriate targets. To determine the direction of the reaction, compounds (19a ) and (20a ) were subjected to a computational study. Computational investigations are in complete agreement with experimental findings. Moreover, the selected newly synthesized products were evaluated for their antimicrobial activity.