# GC–MS analysis and in silico approaches to Stichopus hermanii as anti-inflammatory through PKC-β inhibition
> Fatwati K.

URL kanonis: https://discover.unhas.ac.id/publications/gcms-analysis-and-in-silico-approaches-to-stichopus-hermanii-as-anti-inflammator
Jurnal / Konferensi: Results in Chemistry
Tahun terbit: 2025
DOI: https://doi.org/10.1016/j.rechem.2025.102086
ISSN: 22117156
Kuartil SJR: Q2
Citations: 4

## Authors
- Fatwati K.

## Abstract
Targeting the NF-κB signaling pathway is an interesting approach for anti-inflammatory therapy. Inhibition of the PKC-β pathway has shown to reducing NF-κB activity. In silico studies using molecular docking techniques used to determine the potential of Stichopus hermanii as an anti-inflammatory agent are based on PKC-β interactions.The extract was identified via GC–MS to determine the active compound of Stichopus hermanii. The interactions of the active compounds between Stichopus hermanii and the PKC-β receptor were analyzed via PyRx ver.0.8 then visualized via the Biovia v21.1.0.20298 software application. The pharmacokinetic properties were predicted via pkCSM ( http://biosig.unimelb.edu.au/pkcsm/ ). Drug likeness property testing is performed by Lipinski's rule of five http://www.scfbio-iitd.res.in/software/drugdesign/lipinski.jsp . GC–MS analysis revealed the compounds in Stichopus hermanii extract have benefits as anti-inflammatory agents. Analysis of the pharmacokinetic, toxicity and drug-likeness properties revealed that the Stichopus hermanii content has appropriate activity and is nontoxic compared with Ruboxistaurin. Stichopus hermanii have the potential to be candidates for anti- inflammatory drug development through PKC-β inhibition. These compounds with preeminent potential are 1H-Pyrazole, 1,5-dimethyl-; 9-Octadecenoic acid, (E)-; Hexadecanoic acid, methyl ester; 6-Octadecenoic acid and α-Tocopheryl acetate . Through ADMET prediction tests, these compounds exhibited better pharmacokinetics activity and non- toxic.

## Keywords
- In silico
- Protein kinase C
- Computational biology
- Chemistry
- Pharmacology
- Biology
- Biochemistry
- Kinase
- Gene

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Sumber: Discover Unhas — RIMS Universitas Hasanuddin.
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