Potensi anti-kanker payudara tanaman songga (Strychnos lucida R.Br): Tinjauan interaksi molekuler terhadap reseptor estrogen-α in silico

Muhammad Andre Reynaldi; Arif Setiawansyah

doi:10.29303/sjp.v3i1.149

Potensi anti-kanker payudara tanaman songga (Strychnos lucida R.Br): Tinjauan interaksi molekuler terhadap reseptor estrogen-α in silico

Authors

Muhammad Andre Reynaldi , Arif Setiawansyah

DOI:

10.29303/sjp.v3i1.149

Published:

2022-04-28

Issue:

Vol. 3 No. 1 (2022): April

Keywords:

Songga, Strychnos lucida, breast cancer, estrogen receptor-α

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Reynaldi, M. A., & Setiawansyah, A. (2022). Potensi anti-kanker payudara tanaman songga (Strychnos lucida R.Br): Tinjauan interaksi molekuler terhadap reseptor estrogen-α in silico. Sasambo Journal of Pharmacy, 3(1), 30–35. https://doi.org/10.29303/sjp.v3i1.149

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Abstract

Songga (Styrchnos lucida R.Br) is a plant that has potential to be developed as an anti-breast cancer against. This study was conducted to predict the secondary metabolite derived from songga, which potential as anti-breast cancer through inhibition of estrogen receptor-α. A molecular docking study was carried out using Autodock Vina assisted by AutodockTool and Biovia Discovery Studio. The study used estrogen receptor-α as a protein and ten compounds from songga as ligands. The 3D structure of estrogen receptor-α and ten ligands were obtained from Protein Data Bank and the PubChem database. The result revealed that strychnine N-oxide is the compound that has the lowest free binding energy and inhibition constant with the value 9.6 kcal/mol and 0.09 µM, respectively. This indicated that strychnine N-oxide has an excellent affinity for estrogen receptor-α. Thus, this compound is predicted to inhibit the estrogen receptor-α and can be developed as anti-breast cancer. However, further investigations such as molecular dynamics simulation, in vitro and in vivo assays should be undertaken.

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Author Biography

Muhammad Andre Reynaldi, Department of Pharmaceutical Chemistry, School of Pharmacy, Bandung Institute of Technology, Indonesia

Master Student of Pharmaceutical Science, Department of Pharmaceutical Chemistry, School of Pharmacy, Bandung Institute of Technology

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Potensi anti-kanker payudara tanaman songga (Strychnos lucida R.Br): Tinjauan interaksi molekuler terhadap reseptor estrogen-α in silico

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Muhammad Andre Reynaldi, Department of Pharmaceutical Chemistry, School of Pharmacy, Bandung Institute of Technology, Indonesia

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