Acefylline Derivatives as a New Class of Anticancer Agents: Synthesis, Molecular Docking, and Anticancer, Hemolytic, and Thrombolytic Activities of Acefylline-Triazole Hybrids. (2nd June 2022)

• Record Type: Journal Article
• Authors: Shahzadi, Irum; Zahoor, Ameer Fawad; Parveen, Bushra; Rasul, Azhar; Raza, Zohaib; Ahmad, Sajjad; Irfan, Ali; El-Hiti, Gamal A.
• Other Names: Yadav Dharmendra Kumar Academic Editor.
• Is Part Of: Journal of chemistry. Volume 2022(2022)
• Publication Date: 2022-06-02
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1155/2022/3502872
• Languages: English
• ISSNs: 2090-9063

Abstract

Abstract : The synthesis of novel acefyllines and exploring their biological activities attract researchers due to their medicinal applications. Therefore, the current work reports the successful synthesis of a series of novel acefyllines in good yields, and their structures wereconfirmed using various spectroscopic methods. The synthesized acefyllines demonstrated moderate activity (cell viability = 22.55 ± 0.95% − 57.63 ± 3.65%) compared with the starting drug acefylline (cell viability = 80 ± 3.87%) against the human liver carcinoma (Hep G2 cell line). N -(4-Chlorophenyl)-2-(4-(3, 4-dichlorophenyl)-5-((1, 3-dimethyl-2, 6-dioxo-2, 3-dihydro-1 H -purin-7(6 H )-yl)methyl)-4 H -1, 2, 4-triazol-3-ylthio)acetamide exhibited the most potent activity (cell viability = 22.55 ± 0.95%) among the synthesized derivatives. The in silico modeling studies were performed to predict the binding of the most potent derivative with a binding site that agreed with the results of the antiproliferative activity. The newly synthesized heterocycles exhibited the least hemolytic and moderate clot lysis activity.