Triple-negative breast cancer suppressive activities, antioxidants and pharmacophore model of new acylated rhamnopyranoses from <i>Premna odorata</i>
Abeer H. Elmaidomy, Rabab Mohammed, Asmsaa I. Owis, Mona H. Hetta, Asmaa M. AboulMagd, Abu Bakar Siddique, Usama Ramadan Abdelmohsen, Mostafa E. Rateb, Khalid A. El Sayed, Hossam M. Hassan
Abstract
. The pharmacophore model generated using Molecular Operating Environment (MOE) for compounds 1-5 showed three hydrogen bond acceptors (HBAs), one hydrogen bond donor (HBD), one aromatic ring (Aro), and one hydrophobic (Hyd.) group. The central HBA feature lies at a distance of 4.36 Å and 6.38 Å from the remaining two HBA features. Also, the HBD feature maintains a distance of 2.74 Å from the aromatic feature. Acylated rhamnopyranoses can be considered good scaffolds for developing new anti-breast cancer and antioxidant compounds.
Topics & Concepts
PharmacophoreDPPHChemistryPhytochemicalIC50StereochemistryLamiaceaeMCF-7AntioxidantHuman breastTraditional medicineBreast cancerBiochemistryIn vitroCancerBiologyMedicineGeneticsNatural product bioactivities and synthesisPhytochemistry and Biological ActivitiesPhytochemicals and Antioxidant Activities