CD Skripsi

Sintesis Dan Studi Molecular Docking Pirazolin 4-(5-(3-Metoksifenil)-1-(4-Nitrofenil)-4,5-Dihidro-1h-Pirazol-3-Il)Fenolsebagai Antikankerpayudara

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Pyrazolin is a five-loop heterocyclic compound that has two nitrogen atoms close to each other in its ring and contains one endocyclic double bond. Pyrazolin is known to have many biological activities, such as anticancer. The compound
4-(5-(3-methoxyphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-3-yl) phenol abbreviated as P3OME-4OH-4NTR was successfully synthesized through three reaction step. The first step was the synthesis of the compound chalcone 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl) prop-2-en-1-on by reacting 4-hydroxyacetophenone with 3-methoxybenzaldehyde through Claisen-Schmidt condensation reaction using the microwave irradiation method. The second step was the synthesis of the compound (4-nitrophenyl)hydrazine by reacting 4-fluoronitrobenzene with hydrazine hydrate through an aromatic nucleophilic substitution reaction using the heating stirrer method at a temperature of 60-70oC. The third stage is the synthesis of P3OME-4OH-4NTR compounds by reacting chalcone compounds and hydrazine compounds through cyclization reactions using the heating stirrer method at a temperature of 70-80oC. The three synthesized compounds have yields of 54%, 84% and 77% respectively. The purity of the compound was analyzed using thin layer chromatography (TLC), melting point test and HPLC. The structure of the compound P3OME-4OH-4NTR was confirmed through spectroscopic analysis of UV, LC-MS, FTIR, 1HNMR and 13CNMR which showed the suitability of the structure with the target compound. In silico bioactivity was analyzed using molecular docking against estrogen-α receptor inhibition showed the value of a binding free energy (ΔG) of -10.1 kcal/mmol and an inhibitory constant (Ki) of 0.0391 μM against estrogen-α receptors. This value is lower when compared to 4-OHT which has an ΔG value of -9.3 kcal / mol and an inihibition constant of 1.27 μM. So that the compound P3OME-4OH-4NTR has good activity as an anticancer agent of breast.

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Ketersediaan

Informasi Detail

Judul Seri

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No. Panggil

1903110964

Penerbit

Pekanbaru : Universitas Riau – FMIPA – Kimia., 2024

Deskripsi Fisik

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Bahasa

Indonesia

ISBN/ISSN

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Klasifikasi

1903110964

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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