Flavonoids from Extract Butanol of Twigs Erythrina crista-galli Against the Breast Cancer Cell Line Within In Silico Method

Abstract

Breast cancer is one of the most serious health problems in the world. The common treatments for breast cancer have side effects and resistance, so the search for cancer drugs from natural products that are more effective is still a concern for researchers. Flavonoids from Erythrina crista-galli, which is one of the natural products, have the potential as anticancer drugs based on their phytoestrogen activity that has been reported. The aim of this research is to isolate flavonoids from extract butanol of E. crista-galli with column chromatography and determine their anticancer activity by the in silico molecular docking method. Two flavonoid compounds with the names 6,8-diprenylgenistein from the isoflavone group and phaseolin from the pterocarpan group were isolated. Molecular docking analysis showed that the highest binding affinity values for compounds 1 and 2 were to CDK-2 protein with values of −10.14 and −8.8 kcal/mol, respectively. However, it is also possible to suggest inhibition through ER protein, especially in compound 1, with a value of −10.66 kcal/mol. Therefore, inhibition of the target CDK-2 enzyme is the most promising for the development of new drugs. HIGHLIGHTS Flavonoids have been isolated from butanol extract 6,8-diprenylgenistein and phaseolin were first reported from the species Erythrina crista-galli 6,8-diprenylgenistein has the potential as a new drug candidate with the highest stability based on its ΔG value by targeting the CDK-2 protein within in silico method GRAPHICAL ABSTRACT

Pharmacology activity, toxicity, and clinical trials of Erythrina genus plants (Fabaceae): an evidence-based review

“…Polyphenolic metabolites isolated from E. crista-galli L. could interact with Arg394, Glu353, and His524 residues of the human estrogen receptor R (ERR), thus revealing a promising phytoestrogenic activity (Ashmawy et al, 2016). Moreover, diprenylgenistein and phaseollin isolated from the twigs of E. crista-galli L. showed the highest binding affinity towards CDK2 protein, revealing its anticancer activity (Imanuddin et al, 2023). Cyclin-dependent kinases (CDKs) are proteins that regulate the transition of cell cycle phases.…”