CD Tesis

Sintesis Turunan Piridazinon Tersubtitusi Metoksi Benzen Dengan Fenil Hidrazin Dan Uji Aktivitas Antikanker Secara In Silico

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SUMMARY
WINDA PERMATA ZULMY, NIM. 2210247897, Synthesis of Piridazinone Derivatives Substituted with Methoxy Benzene with Phenyl Hydrazine and In Silico Anticancer Activity Test. Supervised by Prof. Dr. Jasril, MS and apt. Hilwan Yuda Teruna, P.hD.
Pyridazinones are a group of heterocyclic compounds with a broad spectrum that have diverse pharmacological activities, one of which is as an anticancer agent. The aim of this research is to design and produce derivative compounds of methoxy-substituted pyridazinone and phenyl hydrazine and evaluate the potential of these compounds as anticancer agents for breast cancer through in sillico studies. The compound 7-(2-methoxyphenyl)-2H-pyridazino[6,1-c][1,2,4]triazine-3(4H)-one
(18a) and the compound 7-(3,4-dimethoxyphenyl)-2H-pyridazino[6,1-c][1,2,4]
triazine-3(4H)-one (18b) were successfully synthesised through three reaction steps. The first stage of the synthesis process of pyridazinone was a condensation reaction between acetophenone and glyoxylic acid with hydrazine hydrate as a catalyst. The compound was formed through the formation of oxobutanoic acid intermediates. In the second stage was substitution with ethyl chloro acetate into the N atom of the pyridazinone ring. The third stage was the substitution of the ethoxy group of pyridazinone with phenylhydrazine formed pyridazinone coumpound with yields of 85.8% and 87.4%, respectively. Purity analysis of the target compounds was carried out through thin layer chromatography (TLC), melting point determination, and high performance liquid chromatography (HPLC) analysis. TLC and HPLC chromatograms show one stain and one dominant peak in both compounds indicating that the synthesized compounds are pure. This is also supported by the results of melting point measurements with the temperature interval of the compound starting to melt until it melts completely no more than 2°C. The structure of the target compound were then confirmed through UV-Vis, FTIR, MS, H-NMR and 13C-NMR spectroscopic analysis. The characterization results showed that the structure of the synthesized compounds was in accordance with the target compounds. The biological activity of compounds 18a and 18b as inhibitors of receptor tyrosine kinase (PDB ID: 1T46) was evaluated through molecular docking test using MOE 2022.02 application (Molecular Operating Environment, Chemical Computing Group, Tokyo, Japan). Docking results compared with doxorubicin as a positive control showed that compound 18a has the best inhibitory potential with a bond free energy value of -9.1971 kcal/mol by forming three bonds Cys673, Thr670, and Asp810.
Keywords: Piridazinone, in silico, breast cancer, 1T46 receptor, ADMET profilling.

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Ketersediaan

Informasi Detail

Judul Seri

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No. Panggil

2210247897

Penerbit

Pekanbaru. : Universitas Riau – PASCA– Magister Kimia., 2025

Deskripsi Fisik

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Bahasa

Indonesia

ISBN/ISSN

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Klasifikasi

2210247897

Tipe Isi

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Tipe Media

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Tipe Pembawa

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Edisi

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Subjek

MAGISTER KIMIA

Info Detail Spesifik

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Pernyataan Tanggungjawab

RIDHO

Versi lain/terkait

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