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

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...

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Autores principales:	Endang Astuti, Tri Joko Raharjo, Putra Boang Manalu, Ilham Satria Putra, Stephanus Satria Waskitha, Junita Solin
Formato:	article
Lenguaje:	EN
Publicado:	Department of Chemistry, Universitas Gadjah Mada 2021
Materias:	curcumin analogs antiplasmodium aldol condensation molecular docking Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/c57731470afa4aab8ce58c528adacf0e
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spelling	oai:doaj.org-article:c57731470afa4aab8ce58c528adacf0e2021-12-02T14:45:03ZSynthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents1411-94202460-157810.22146/ijc.57646https://doaj.org/article/c57731470afa4aab8ce58c528adacf0e2021-03-01T00:00:00Zhttps://jurnal.ugm.ac.id/ijc/article/view/57646https://doaj.org/toc/1411-9420https://doaj.org/toc/2460-1578This 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, 1H-NMR, 13C-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 µM and -7.6 kcal/mol, respectively. Based on molecular docking studies, this compound also showed the most potent antimalarial activity targeted at PfATP6.Endang AstutiTri Joko RaharjoPutra Boang ManaluIlham Satria PutraStephanus Satria WaskithaJunita SolinDepartment of Chemistry, Universitas Gadjah Madaarticlecurcumin analogsantiplasmodiumaldol condensationmolecular dockingChemistryQD1-999ENIndonesian Journal of Chemistry, Vol 21, Iss 2, Pp 452-461 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	curcumin analogs antiplasmodium aldol condensation molecular docking Chemistry QD1-999
spellingShingle	curcumin analogs antiplasmodium aldol condensation molecular docking Chemistry QD1-999 Endang Astuti Tri Joko Raharjo Putra Boang Manalu Ilham Satria Putra Stephanus Satria Waskitha Junita Solin Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents
description	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, 1H-NMR, 13C-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 µM and -7.6 kcal/mol, respectively. Based on molecular docking studies, this compound also showed the most potent antimalarial activity targeted at PfATP6.
format	article
author	Endang Astuti Tri Joko Raharjo Putra Boang Manalu Ilham Satria Putra Stephanus Satria Waskitha Junita Solin
author_facet	Endang Astuti Tri Joko Raharjo Putra Boang Manalu Ilham Satria Putra Stephanus Satria Waskitha Junita Solin
author_sort	Endang Astuti
title	Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents
title_short	Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents
title_full	Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents
title_fullStr	Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents
title_full_unstemmed	Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents
title_sort	synthesis, molecular docking, and evaluation of some new curcumin analogs as antimalarial agents
publisher	Department of Chemistry, Universitas Gadjah Mada
publishDate	2021
url	https://doaj.org/article/c57731470afa4aab8ce58c528adacf0e
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Synthesis, Molecular Docking, and Evaluation of Some New Curcumin Analogs as Antimalarial Agents

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