Image of Sintesis Dan Molecular Docking Senyawa Hibrida Kalkon (E)-3-(2-Metoksifenil)-1-(2-(2-Morfolinoetoksi)Naftalen-1-Il)Prop-2-En-1-On Sebagai Agen Antikanker Payudara
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Sintesis Dan Molecular Docking Senyawa Hibrida Kalkon (E)-3-(2-Metoksifenil)-1-(2-(2-Morfolinoetoksi)Naftalen-1-Il)Prop-2-En-1-On Sebagai Agen Antikanker Payudara

Chalcone or 1,3-diphenyl-2-propenone is a secondary metabolite compound of the open-chain flavonoid group with a ,β-unsaturated carbonyl framework structure which has various bioactivities, including anti-breast cancer. The morpholino- chalcone hybrid compound (E)-3-(2-methoxyphenyl)-1-(2-(2-morpholinoethoxy) naphthalene-1-yl)prop-2-en-1-one is named as 2OMP-2MOF-CLN (22) has been successfully synthesized through two reaction stages using the microwave irradiation method. The first stage was the synthesis of the 2-hydroxychalcone
(20) compound via the Claisen-Schmidt condensation reaction and the second stage was the synthesis of the 2OMP-2MOF-CLN (22) compound via the O- alkylation reaction with yields of 97.34% and 75.59% respectively. The purity of the synthesized compound was tested using thin layer chromatography (TLC), melting point test, and HPLC analysis. Based on the results of UV, FTIR, 1H- NMR, 13C-NMR and LC-MS spectroscopic data, the structure of the 2OMP- 2MOF-CLN (22) compound was confirmed to match the desired target compound. The results of molecular docking tests in inhibiting the estrogen receptor  (ER) (PDB ID: 3ERT), the compound 2OMP-2MOF-CLN (22) shows promising potential as an anti-breast cancer agent. The 2OMP-2MOF-CLN compound (22) has a binding free energy (∆Gbind) value of -12.39 kcal/mol and an inhibition constant (Ki) of 0.83 nM which is lower than the positive control 4- OHT with a ∆Gbind value and Ki are -11.98 kcal/mol and 1.64 nM respectively. These results show that the 2OMP-2MOF-CLN compound has a higher affinity in binding to the ER receptor so that it can inhibit the development of breast cancer.

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Perpustakaan Universitas Riau 1803112528
1803112528
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Judul Seri
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No. Panggil
1803112528
Penerbit
Pekanbaru : Universitas Riau FMIFA Kimia.,
Deskripsi Fisik
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Bahasa
Indonesia
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Klasifikasi
1803112528
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Tipe Media
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Tipe Pembawa
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Edisi
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Subjek
KIMIA
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Pernyataan Tanggungjawab
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