Synthesis and computational study of metal complex of α-mangostin as an anticancer candidate

• Main Authors: Richa Mardianingrum (Author), Srie Rezeki Nur Endah (Author), Isti Daruwati (Author), Muchtaridi Muchtaridi (Author), Ruswanto Ruswanto (Author)
• Format: Book
• Published: GarVal Editorial Ltda., 2024-05-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Summary

Context: The number of breast cancer patients from year to year is increasing, accompanied by an increase in global mortality; the position in Indonesia has reached 60-70% with end-stage conditions. ERα antiproliferative activity exists in α-mangostin compounds, but this compound still has several physicochemical problems, including its solubility. Therefore, efforts are needed to increase the activity of α-mangostin and its affinity as an alpha estrogen receptor antagonist through a structure-based design method. Aims: To obtain new compounds derived from α-mangostin in the form of a metal complex with cobalt (AM-Co), platinum (AM-Pt), and iron (AM-Fe) as medicinal ingredients that can be used as breast cancer therapeutic agents. Methods: The research methods include in silico studies (pharmacokinetic and toxicity prediction, molecular docking, and molecular dynamics), semi-synthesis to form a complex compound, and testing cytotoxic activity against MCF-7 and T-47D human breast cancer cells. Results: From the in vitro test results, it can be seen that the AM-Pt compound showed the best anticancer activity on MCF-7 cells compared to others from IC50 and SI values; this was supported by the results of in silico studies either through molecular docking or molecular dynamics, where this compound was more effective. Conclusions: Furthermore, it can be used as an anticancer candidate; particularly, its activity is predicted to be more potent as an ERa antagonist than a-mangostin and cisplatin.

Item Description

10.56499/jppres23.1827_12.3.423
0719-4250