Abstract
The
plants are exceptionally rich in phytochemicals and possess therapeutics potential. Phytochemical screening shows that
(Burm.f.) Merr. contains highest contents
, total phenolics, flavonoids, flavonols, tannins, alkaloids, carbohydrates, anthraquinones and glycosides.
antibacterial and enzymatic (carbonic anhydrase) inhibition studies on methanol extracts of
indicated the presence of biological active constituents within chloroform soluble portions. Investigation in the pure constituents on the chloroform portions of
accomplished by column chromatography, NMR and MS analysis. The bioguided isolation yields four chemical constituents of coumaronochromone family, namely aervin (
). These pure chemical entities (
) showed significant antibacterial activity in the range of 60.05–79.21 µg/ml against various bacterial strains using ampicillin and ciprofloxacin as standard drugs. The compounds
showed promising carbonic anhydrase inhibition with IC
values of 19.01, 18.24, 18.65 and 12.92 µM, respectively, using standard inhibitor acetazolamide. First-principles calculations revealed comprehensive intramolecular charge transfer in the studied compounds
. The spatial distribution of highest occupied and lowest unoccupied molecular orbitals, ionization potential, molecular electrostatic potential and Hirshfeld analysis revealed that these coumaronochromone compounds would be proficient biological active compounds. These pure constituents may be used as a new pharmacophore to treat leaukomia, epilepsy, glaucoma and cystic fibrosis.