Four new sesquiterpenes from Carpesium faberi

Abstract

Four undescribed sesquiterpenes, namely faberivax A-B (1-2) and faberine A-B (3-4), were isolated from the whole plant of Carpesium faberi, along with nine known sesquiterpenes (5−13). The structures were identified using NMR, HRESIMS, and ECD analysis, and by comparing them with literature data. To initially explore the presence of multidrug resistance (MDR) reversal activities, molecular docking was conducted to explore the binding energies and conformations between all the isolates and P-glycoprotein. The computed binding energy data suggested that six sesquiterpenes docked into the P-glycoprotein with good binding affinity as evidenced by the lower computed binding energies ranging between −7.14 to −7.85 kcal/mol.