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June 5, 2023PharmaceuticalsOpen Access

Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species

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Authors

CMCătălina MareşUniversity of BucharestAUAna-Maria UdreaUniversity of BucharestNŞNicoleta Anca ŞuţanUniversitatea Națională de Știință și Tehnologie Politehnica București

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Implication

In silico study reveals carbonic anhydrase binding by Ranunculaceae alkaloids, suggesting therapeutic potential for neurological and neoplastic disorders.

Key Points

  • Characterize the pharmacokinetic, pharmacogenomic, and pharmacodynamic profiles of bioactive compounds isolated from Ranunculaceae species using bioinformatics tools.
  • Extracted compounds from Ranunculaceae rhizomes, leaves, and flowers using microwave-assisted and ultrasound-assisted extraction, followed by HPLC purification.
  • Conducted bioinformatics simulations to model intestinal absorption, central nervous system permeability, tumor sensitivity modulation, and molecular docking affinities.
  • Alkaloids demonstrated favorable intestinal absorption, high blood-brain barrier permeability, and potential modulation of tumor sensitivity to therapeutic treatments.
  • Identified compounds exhibited strong binding affinity to carbonic anhydrase and aldose reductase, supporting their potential development as natural enzyme inhibitors.

Cite This Study

Mareş et al. (2023) studied this question.

synapsesocial.com/papers/6a763b484fac453bfeb1b574https://doi.org/10.3390/ph16060842
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