CD Skripsi

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

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Pyrazole is a five-membered heterocyclic compound consisting of three carbon atoms and two nitrogen atoms positioned adjacent to each other and having a double bond within the pyrazole ring. This compound has attracted considerable attention due to its diverse biological activities, particularly as an anticancer agent. This study aims to synthesize a naphthalene-substituted pyrazole compound with a nitro group on the pyrazole ring and to evaluate its activity against breast and cervical cancer through in silico testing using molecular docking methods. The pyrazole compound was synthesized through two reaction stages. The first stage involved the formation of chalcone through a Claisen-Schmidt condensation reaction using the stirring method, yielding chalcone (21) with a yield of 51.7%. The second stage involved the formation of pyrazole by reacting chalcone with hydrazine hydrate through a cyclization reaction using the stirring method at 70-80ºC, producing 3-(naphthalen- 2-yl)-5-(3-nitrophenyl)-1H-pyrazole (24) with a yield of 58.8%. The purity of the compound was analyzed using TLC, melting point analysis, and HPLC. The structure of the synthesized compound was confirmed through spectroscopy analyses including UV, FTIR, HRMS, ¹H-NMR, and ¹³C-NMR. The anticancer activity against breast and cervical cancer was evaluated using molecular docking against ERα and SIRT1. The anticancer activity against breast and cervical cancer was evaluated through molecular docking study targeting ERα and SIRT1. In silico molecular docking results indicated that compound PZL-2NFT-3NO₂ (24) exhibits greater potential in inhibiting cervical cancer compared to breast cancer. The compound demonstrated strong binding affinity toward both ERα and SIRT1 receptors, with binding free energy (∆Gbind) and inhibition constant (Ki) of –8.57 kcal/mol and 5.20 × 10⁻¹ μM for ERα, and–10.92 kcal/mol and 9.96 × 10⁻³ μM for SIRT1.

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Ketersediaan

Informasi Detail

Judul Seri

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No. Panggil

2103111746

Penerbit

Pekanbaru : Universitas Riau FMIPA Kimia., 2025

Deskripsi Fisik

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Bahasa

Indonesia

ISBN/ISSN

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Klasifikasi

2103111746

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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