Docking and Antiproliferative Effect of 4-T-Butylbenzoyl-3-Allylthiourea on MCF-7 Breast Cancer Cells With/Without Her-2 Overexpression

5 Pages Posted: 11 Oct 2019 Last revised: 6 Dec 2019

See all articles by Tri Widiandani

Tri Widiandani

Faculty of Pharmacy, Airlangga University

Siswandono

Faculty of Pharmacy, Airlangga University

E. Meiyanto

Gadjah Mada university

Date Written: September 30, 2019

Abstract

Breast cancer is currently one of the most common causes of death in women all over the world, with 30 percent cases caused by overexpression of HER-2 and poor prognosis. HER-2 plays an important role in cell proliferation, thereby, making it a promising strategy in the treatment of breast cancer. This research, therefore, uses 4-t-butylbenzoyl-3-allylthiourea a category of the thiourea group which acts as a needed pharmacophore for cytotoxic activity. Its aim is to dock and investigate the antiproliferative effect of 4-t-butylbenzoyl-3-allylthiourea on MCF-7/HER-2 and MCF-7 parented breast cancer cells. Virtual screening was conducted by docking the interaction study of the compounds into the binding site of EGFR and/or HER-2, with PBD code: 1M17 and 3PP0 to predict their affinity. Furthermore, it enabled the extraction of RS -91.0665 kcal/mol value on the EGFR receptor (1M17.pdb) and RS -91.0365 kcal/mol value on the HER-2 receptor (3PP0.pdb). The Anti-proliferative effect of the compound on MCF-7 and MCF-7/HER-2 cell line was observed by MTT assay, while 4-t-butylbenzoyl-3-allylthiourea exhibited its effect on MCF-7/HER-2 cells using IC50 values of 0.15±6.48 mM higher than MCF-7 cells with IC50 values of 0.26±2.48 mM. In conclusion, 4-t-butylbenzoyl-3-allylthiourea is potentially developed as an anti-breast cancer agent with overexpression of HER-2.

Keywords: 4-t-butylbenzoyl-3-allylthiourea, MCF-7, MCF-7/HER-2, docking, antiproliferative

Suggested Citation

Widiandani, Tri and Siswandono and Meiyanto, E., Docking and Antiproliferative Effect of 4-T-Butylbenzoyl-3-Allylthiourea on MCF-7 Breast Cancer Cells With/Without Her-2 Overexpression (September 30, 2019). Proceedings of International Conference on Applied Pharmaceutical Sciences (ICoAPS) 2018, Available at SSRN: https://ssrn.com/abstract=3461444 or http://dx.doi.org/10.2139/ssrn.3461444

Tri Widiandani (Contact Author)

Faculty of Pharmacy, Airlangga University ( email )

FF UNAIR Kampus C UNAIR
Surabaya, East Java 60115
Indonesia

HOME PAGE: http://ff.unair.ac.id/

Siswandono

Faculty of Pharmacy, Airlangga University

FF UNAIR Kampus C UNAIR
Surabaya, East Java 60115
Indonesia

E. Meiyanto

Gadjah Mada university

Bulaksumur
Yogyakarta 55281
Indonesia

HOME PAGE: http://https://ugm.ac.id/en/faculty/1376-faculty.of.pharmacy

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