STUDI IN SILICO SENYAWA TURUNAN KURKUMIN (4-[(1E,6E)‐7‐(4‐HYDROXY‐3‐METHOXYPHENYL)‐3,5-DIOXOHEPTA‐1,6‐DIEN‐1‐YL]‐2‐METHOXYPHENYL-3-CHLOROBENZOATE) SEBAGAI KANDIDAT ANTIKANKER PAYUDARA

FIRDAUS, AZI ILHAM (2024) STUDI IN SILICO SENYAWA TURUNAN KURKUMIN (4-[(1E,6E)‐7‐(4‐HYDROXY‐3‐METHOXYPHENYL)‐3,5-DIOXOHEPTA‐1,6‐DIEN‐1‐YL]‐2‐METHOXYPHENYL-3-CHLOROBENZOATE) SEBAGAI KANDIDAT ANTIKANKER PAYUDARA. Sarjana thesis, UNIVERSITAS BAKTI TUNAS HUSADA.

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Abstract

Azi Ilham Firdaus 1, Ruswanto 2*, Anindita Tri Kusuma 3 1Fakultas Farmasi, Program Studi S1 Farmasi 2 Universitas Bakti Tunas Husada, Jl. Cilolohan No. 36, Tasikmalaya, 46115, Indonesia *Email: kamuiif503@gmail.com Abstract Cancer is a disease of abnormal cell growth in the human body that often attacks the body's organs. Alkaloid-based compounds have anticancer activity, such as Tamoxsifen. The research that will be carried out this time will test curcumin derivative compounds as anticancer candidates, namely (4‐[(1E,6E)‐ 7‐(4‐Hydroxy‐ 3-Methoxyphenyl)‐ 3,5‐Dioxohepta‐ 1,6‐Dien‐1‐Yl]‐ 2‐Methoxyphenyl-3-Chlorobenzoate.In this research test in silico carried out in the activity of curcumin derivative compounds (4-[(1E,6E)‐7‐(4‐hydroxy‐3‐methoxyphenyl)‐ 3,5‐dioxo-hepta‐1,6‐dien‐1‐yl]- 2-methoxyphenyl-3‐Chlorobenzoate), synthetic compound with compound code 70I as a natural ligand, Tamoxifen as an anticancer drug, with the estrogen receptor HER2 (breast cancer) by looking at the binding affinity value/free binding energy and inhibition constant which is a result of the interaction between the ligand and the receptor. The results of molecular docking can be seen to show the binding affinity of the molecular docking of the four compounds, with the smallest values being tamoxifen, curcumin, 70I, and curcumin derivative compounds. For the constant results inhibition, the results of molecular docking show that curcumin derivative compounds can compete with ligands. Based on the results of molecular docking research, it can be concluded that the binding affinity of the molecular docking of the four compounds, with the smallest value is tamoxifen, curcumin, 70I, derivative compounds. For the results of the inhibition constant, Molecular docking results show that curcumin derivative compounds can compete. Keywords: derivative compounds; curcurmin, test in silico, anticancer breast.

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