Synthesis, In Silico Study and Antimalarial Activity of Triazolo[1,5-a]pyrimidine Derivatives

被引：2
|
作者：
Prajapati, Arvind N. [1 ,2 ]
Saiyad, Shaffiqali Y. [1 ,2 ]
Bhatt, Bhaktiben R. [3 ]
Patel, Tarosh S. [3 ]
Kataria, Vipul B. [3 ]
Dixit, Bharat C. [3 ]
Dixit, Ritu B. [1 ,2 ]
机构：
[1] Ashok & Rita Patel Inst Integrated Study & Res Bio, Anand 388120, Gujarat, India
[2] Charutar Vidya Mandal Univ CVMU, Constitute Coll, Vallabh Vidyanagar, Gujarat, India
[3] Sardar Patel Univ, V P&R P T P Sci Coll, Chem Dept, Vallabh Vidyanagar 388120, Gujarat, India
来源：
CHEMISTRYSELECT | 2024年 / 9卷 / 26期
关键词：
Synthesis; Molecular docking; 3D-QSAR; ADME; Enzyme inhibition assay; Antimalarial activity; ONE-POT SYNTHESIS; MICROWAVE-ASSISTED SYNTHESIS; THIAMINE HYDROCHLORIDE VB1; BIOLOGICAL EVALUATION; IONIC-LIQUID; EFFICIENT PROMOTER; PREDICTION;
D O I：
10.1002/slct.202401335
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The present study mainly focused on synthesizing novel triazolo[1,5-a]pyrimidine-6-carboxamide derivatives using multicomponent reaction. Synthesized derivatives were duly characterized using spectroscopic methods of analysis FT-IR and mass spectroscopy, and H-1 NMR and( 13)C NMR confirmed the structure of compounds. Further, the potential of the synthesized compounds against Plasmodium falciparum dihydrofolate reductase (Pf-DHFR) inhibitors was evaluated by in vitro antimalarial activity, and the results of the study showed moderate to good antimalarial profile of synthesized entities. In silico study of all the synthesized compounds was carried out using Schr & ouml;dinger LLC-2020-3 Software to explain the binding mode and interactions between molecules and pf DHFR enzyme. To study the drug likeliness of molecules, 3D QSAR and Pharmacokinetic studies have been carried out, and the results obtained showed a good pharmacokinetics profile of two compounds, namely AMP-24 and AMP-28, having good IC50 values concerning standard drugs. Further, the in vitro enzyme inhibition assay results suggested that the synthesized compound interacts nicely with the enzyme and might be used as a potent antimalarial agent.
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页数：14
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