Isolation, Structure Elucidation and In Silico Prediction of Potential Drug-Like Flavonoids from Onosma chitralicum Targeted towards Functionally Important Proteins of Drug-Resistant Bad Bugs

We report the antibacterial and antifungal activities of the crude extract, solvents soluble fractions, and new source compounds isolated for the first time from Onosma chitralicum, but reported already from different sources as referenced in the Materials and Methods section, which were individualized by various techniques named one-dimensional and two-dimensional NMR

Shakeel Ahmad Khan

2021

Scholarcy highlights

  • Microorganisms, including viruses, bacteria, and others, are potentially harmful to other living organisms, mainly humans
  • We report the antibacterial and antifungal activities of the crude extract, solvents soluble fractions, and new source compounds isolated for the first time from Onosma chitralicum, but reported already from different sources as referenced in the Materials and Methods section, which were individualized by various techniques named one-dimensional and two-dimensional NMR
  • The crude extract weighed to 80 g, was further suspended in water, and partitioned successively with n-hexane, chloroform, ethyl acetate, and n-butanol to obtain their soluble fractions
  • The isolation from ethyl acetate soluble fraction resulted in seven compounds, 1 to 7, as potential pharmaceutical targets
  • Compound 7 showed best docking results to the antifungal fluconazole binding enzyme Lanosterol 14α-demethylase. These findings lead to the identification of chemical scaffolds, which can lead to new broadspectrum antimicrobial drugs targeted against functionally important proteins of human pathogens, and modification to existing inhibitors of these important proteins to improve affinity and potency
  • A further study would help in supporting further insight into the pharmacological properties of these isolated compounds

Need more features? Save interactive summary cards to your Scholarcy Library.