In vitro and In silico: Selectivities of Seychellene Compound as Candidate Cyclooxygenase Isoenzyme Inhibitor on Pre-Osteoblast Cells
Sentot J. Raharjo,
Objective: To determine selectivity's single and cluster of the seychellene
(CID519743) compound such as cyclooxygenase (COX-1/ COX-2) inhibitor by invitro
and In silico analysis.
Methods: Fraction of seychellene obtained fractional-vacuum distillation patchouli
oil by Pilodist-104. The fraction was determined through IC50 COX-1/ COX-2 value
by colorimetric test COX-ovine 760700 and the effect decreases the expression of
COX-1/ COX-2 on pre-osteoblast cell to induce LPS. Molecular interaction studies
single/ cluster of seychellene and other compounds with COX-1 and COX-2 used
the molecular docking tools by Hex 8.0 and the interactions were further visualized
and the binding energy was calculated (with Generalized Born Molecular Volume
(GBMV) model solvent) using Discovery Studio Client 3.5 software.
Result: Fraction of seychellene obtained from patchouli oil in fraction-5 (25.05%). The IC50 values of
fraction-5 were: COX-1 (73.47μM) and COX-2 (73.31μM). The fraction of seychellene decreased the
expression of COX-1/ COX-2 isoenzym. In silico analyses of scoring binding energy calculation (with
GBMV model solvent) of single and cluster seychellene compounds affected the selectivity of COX-1
and COX-2 inhibitor.
Conclusion: Collectively, selectivity's of the seychellene compound as non-selective inhibitor
Keywords: IC50, in silico analyses of scoring binding energy, inhibitor selective, selectivity, single/ cluster seychellene compounds.
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