Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents

Astuti, Endang and Raharjo, Tri Joko and Boangmanalu, Putra Makamur and Putra, Ilham Satria Raditya and Waskitha, Stephanus Satria Wira and Solin, Junita (2021) Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents. INDONESIAN JOURNAL OF CHEMISTRY, 21 (2). pp. 452-461. ISSN 1411-9420

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Abstract

This research involves the synthesis, antimalarial evaluation, and molecular docking of several curcumin analogs. A total of six curcumin analog compounds were synthesized using aldol condensation using hydrochloric acid and sodium hydroxide catalysts. The synthesized compounds were elucidated using FTIR, H-1-NMR, C-13-NMR, and LC-MS/MS. Subsequently, all curcumin analogs were tested as an antimalarial agent against Plasmodium falciparum 3D7 strain, and their mechanism of action was evaluated through a molecular docking study. Six curcumin analogs, i.e. 2,6-bis(2-hydroxybenzylidene)cyclohexanone; 2,6-bis(2-hydroxybenzylidene)cyclopentanone; 1. 5-bis(2-hydroxyphenyl)penta-1,4-diene-3-one; 2,6-bis(3-hydroxybenzylidene)cyclo-hexanone; 2,6-bis(3-hydroxybenzylidene)cyclopentanone; and 1,5-bis(3-hydroxy-phenyl)penta-1,4-diene-3-one have been successfully synthesized. In addition, 2,6-bis(2-hydroxybenzylidene) cyclopentanone demonstrated the lowest IC50 value and binding affinity of 0.04 mu M and -7.6 kcal/mol, respectively. Based on molecular docking studies, this compound also showed the most potent antimalarial activity targeted at PfATP6.

Item Type: Article
Uncontrolled Keywords: curcumin analogs; antiplasmodium; aldol condensation; molecular docking
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Mathematics and Natural Sciences > Chemistry Department
Depositing User: Sri JUNANDI
Date Deposited: 20 Oct 2024 04:23
Last Modified: 20 Oct 2024 04:23
URI: https://ir.lib.ugm.ac.id/id/eprint/9096

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