Breast cancer is one of the worst diseases that affect women. Long-term treatment with therapy or surgery has a detrimental effect on the patient. Breast cancer is caused by unregulated cell growth and has a high mortality rate. Many researchers are working to develop effective, efficient, safe, and available treatments for everyone. Kappaphycus alvarezii algae have been in great demand as a breast cancer drug because it contains chemicals that are expected to be anti-cancer. This paper aims to see how secondary metabolites in algae interact with Nuclear Factor-kappaB protein kinase in breast cancer. Ligands and proteins were obtained from PubChem and PDB websites, respectively.
Swiss ADME was then used to assess Pharmacokinetic and Drug similarity properties. The final stage involves using molecular docking with PyRx and molecular dynamics to identify interactions and visualize between ligands and target proteins. The test findings revealed that the chemical marinol has the superior binding capacity to the protein kinase NF kB because it has a chromone group that controls transport efficiently in preventing breast cancer proliferation. The QSAR analysis revealed that marinol has various anti-cancer properties, not only in breast cancer but also in other cancers. Because it has a chromone group, the test results showed that marinol has relatively high effectiveness as an anti-breast cancer agent, with a binding energy of -7.5 kcal/mol.
Authors: Teguh Hari Sucipto, Alyaa Farrah Dibha, Rahadian Zainul, et al.
Article Title: Utilization of Secondary Metabolites in Algae Kappaphycus alvarezii as a Breast Cancer Drug with a Computational Method
Detailed information about this scientific article can be found at: https://phcogj.com/article/1800
Source: news.unair.ac.id
Picture Source: Detik.com
