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Undescribed Anti-Inflammatory Thalysiaketides from Marine Sponge Clathria (Thalysias) vulpina (Lamarck, 1814).

Prima FrancisKajal Chakraborty
Published in: Chemistry & biodiversity (2022)
Two undescribed polyketide-type compounds, thalysiaketide A and thalysiaketide B were isolated from a sponge of marine origin Clathria (Thalysias) vulpina (Lamarck, 1814). Thalysiaketide A exhibited significantly greater inhibitory potential against inflammatory 5-lipoxygenase (IC 50 0.87 mM) and cyclooxygense-2 (IC 50 0.93 mM) compared to those displayed by its thalysiaketide B analog (IC 50 ≥1.05 mM). The 5-lipoxygenase inhibitory activity of thalysiaketide A was considerably superior to ibuprofen (standard, IC 50 >4 mM). Higher degree of polar belongings (topological polar surface area 93.06) in conjunction with relatively lower docking parameters of thalysiaketide A with the aminoacyl residues of cyclooxygense-2 and 5-lipoxygenase (docking score -12.99 and -12.27 kcal/mol, respectively) recognized its prospective anti-inflammatory potential.
Keyphrases
  • anti inflammatory
  • molecular dynamics
  • molecular dynamics simulations
  • protein protein
  • ionic liquid
  • oxidative stress
  • human health
  • risk assessment