Study on molecular docking of red betel (Piper crocatum Ruiz & Pav.) active compound and tamoxifen drug as an inhibitor of estrogen receptor-α (ER-α) that plays a role in breast cancer

• Main Authors: Maslikah, Siti Imroatul, Lestari, Sri Rahayu, Handayani, Nursasi, Nik Malek, Nik Ahmad Nizam, Jemon, Khairunadwa, Amalia, Atikah, Afifah, Solichatul
• Format: Conference or Workshop Item
• Language: English
• Published: 2020
• Subjects: Q Science (General)
• Online Access: http://eprints.utm.my/id/eprint/89970/1/NikAhmadNizam2020_StudyonMolecularDockingofRedBetel.pdf; http://eprints.utm.my/id/eprint/89970/; http://dx.doi.org/10.1063/5.0002556

Breast cancer is the second leading cause of death due to cancer among women. The most common trigger of cancer is an excessive expression of Estrogen Receptor-α (ER-α) which plays a significant role in the growth, development, and pathophysiology of the breast. Tamoxifen is one of Selective Estrogen Receptor Modulators (SERMs) used to treat breast cancer patients, but this drug harmfully impacts on the uterus so that a safe alternative treatment is needed by using herb materials, such as Red Betel. This research aimed to predict the potency of Red Betel Kaempferitrin, β-amyrin, Piperbetol, Piperine, and Sesamin compounds as an inhibitor of Estrogen Receptor-α (ER-α) through molecular docking method. Potency Activity test and ADMET test employed some software and web server. The results of docking between five Red Betel compounds and ER-α were at the similar site to Tamoxifen drug through alkyl and hydrogen bond with the lower affinity value of the Red Betel compound than the control drug. Red Betel active compound has the potency as an anti-neoplastic and anti-oxidant. The Red Betel active compound has a good ADMET profile. This study concluded that the five Red Betel compounds are potential to be breast anticancer drug.