CD Skripsi

Sintesis Dan Uji In Silico Senyawa Pirazolin 3-(Naftalen-2-Il)-5-(3-Nitrofenil)-1-Fenil-4,5-Dihidro-1h-Pirazol Sebagai Kandidat Antikanker Payudara Dan Serviks

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Pyrazolines is a five-ring compound and a heterocyclic compound containing two nitrogen bases formed from chalcone (reaction between ketone and aldehyde) with hydrazine through condensation and cyclization reactions. Pyrazolines have various activities, one of which was anticancer activity. This study aims to synthesized the pyrazoline was -3-(naphthalene-2-yl)-5-(3-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole and conducted in silico test to determined breast and cervical anticancer activity. The compound PRF-2NFT-3NO2 has been successfully synthesized through two stages. The first stage was the synthesized of chalcone compound (E)-1-(naphthalene-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one and the second stage was the synthesized of compound 3-(naphthalene-2-yl)-5-(3-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole (PRF-2NFT-3NO2). The method used in the synthesized of chalcone compound was stirring at room temperature for four hours with a yield of 51,7% and in the synthesized of PRF-2NFT-3NO2 compound was stirring at a temperature of 70-80oC for five hours with a yield of 92,9%. The purity of the compound was tested by measuring the melting point, thin layer chromatography (TLC) method, and HPLC analysis. The structure of the pure PRF-2NFT-3NO2 compound was confirmed through UV, FTIR, HRMS, 1H-NMR, and 13C-NMR spectroscopy characterization. Based on the results of the analysis, the PRF-2NFT-3NO2 compound was confirmed according to the desired target molecular structure. The PRF-2NFT-3NO2 compound was tested for its anticancer activity through in silico test with the molecular docking method. Molecular docking studies was conducted on estrogen-α receptors (PDB ID: 3ERT) and sirtuin1 receptors (PDB ID: 4I5I). The results of molecular docking showed that the PRF-2NFT-3NO2 compound has good bioactivity as an anticancer against breast cancer and cervical cancer with Gibbs free energy on estrogen-α receptors (ΔGbind) and inhibition constants (Ki) of -8,9 kcal/mol and 0,691µM while on sirtuin1 receptors Gibbs free energy (ΔGbind) and inhibition constants (Ki) of -11,59 kcal/mol and 0,0032 µM.


RINGKASAN

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Ketersediaan

Informasi Detail

Judul Seri

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No. Panggil

2103112886

Penerbit

Pekanbaru : Universitas Riau FMIPA Kimia., 2025

Deskripsi Fisik

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Bahasa

Indonesia

ISBN/ISSN

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Klasifikasi

2103112886

Tipe Isi

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Tipe Media

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Tipe Pembawa

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Edisi

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Subjek

KIMIA

Info Detail Spesifik

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Pernyataan Tanggungjawab

Mutia

Versi lain/terkait

Lampiran Berkas

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