Xanthone, single crystal XRD, DFT electronic properties, Cancer, Molecular docking, Molecular dynamic simulation
Costunolide, Single crystal XRD, NBO analysis, NLO properties, Vibrational frequencies, Molecular Docking
Pachypodostyflavone, Single crystal XRD, DFT, Electronic properties, Vibrational spectroscopy, molecular docking.
Anthothecol, Limonoid, X-ray crystallography, Cytotoxicity, Molecular modeling, Estrogen receptor alpha