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Sintesis, Uji Bioaktivitas Dan Molecular Docking Senyawa Turunan 1,3,5-Triaril Pirazol Tersubstitusi Sulfonamida Dan Morfolin Sebagai Inhibitor Sel Mcf-7

Pyrazoles are well known heterocyclic azo compound due their various biological activity such as antioxidant, antimicrobial, antitubercular, antiinflamation and anticancer. This research aims to synthesize 1,3,5-triaryl pyrazole derivatives containing sulphonamide and morpholine moeity and determine their anti-breast cancer activity. 1,3,5-Triaryl pyrazole derivatives were synthesized through multi-steps reactions including synthesis of hydrazine, chalcone, pyrazoline, including O-alkylation reaction of phenolic compounds. Their activity was evaluated by molecular docking simulation of synthesized compounds against ERα (PDB ID: 3ERT) using Molecular Operating Environment 2019.0102 (MOE) and in vitro assay against MCF-7 cell line using colorimetric MTT method. In this research, 1,3,5-triaryl pyrazoles 53 has been succesfully synthesized with 14 % yield. Moreover, chalcone 45a-c and 1,3,5-triaril pyrazoline derivatives 48a-c and 49b-c compounds were also obtained with good yields. Structure of predicted molecule were confirmed by UV, FTIR, NMR and HRMS spectroscopy data analysis. Molecular docking simulation showed that pyrazoline 49b-c and pyrazole 53 containing sulfonamide and morpoline moeity had better affinity and similar binding mode compared to 4-hydroxytamoxifen, where the 49b compound has the highest affinity with S = 17.28 kcal/mol. Furhermore, in vitro assay result against MCF-7 cell line, pyrazole 53 showed highest inhibitory activity with IC50 of 9,69 µM, followed by pyrazoline 49b with IC50 of 11,83 µM. Thus, pyrazole 53 and pyrazoline 49b are promising candidates as anti-breast cancer agent through antagonis activity to ERα.

Key words :, Breast cancer, chalcone, estrogen alpha, molecular docking, pyrazoline, pyrazole.

Ketersediaan
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Perpustakaan Universitas Riau 10 05. 220 (0003)
10 05. 220 (0003)
Tersedia
Informasi Detail
Judul Seri
-
No. Panggil
10 05. 220 (0003)
Penerbit
Pekanbaru : Universitas Riau – Pascasarjana – Tesis Kimia.,
Deskripsi Fisik
xvi, 179 hlm.; ill.; 29 cm
Bahasa
Indonesia
ISBN/ISSN
-
Klasifikasi
10 05. 220 (0003)
Tipe Isi
-
Tipe Media
-
Tipe Pembawa
-
Edisi
-
Subjek
PASCASARJANA (MAGISTER) KIMIA
Info Detail Spesifik
-
Pernyataan Tanggungjawab
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