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All Journal Fullerene Journal of Chemistry Jurna Beta Kimia
Najoan, Jessika Maya Jovanka
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Chemical Engineering, Chemistry & Bioengineering Chemistry Education

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Journal : Fullerene Journal of Chemistry

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Molecular Docking Of Cyclosenegalin A As Anticancer Paat, Vlagia Indira; Aloanis, Anderson Arnold; Najoan, Jessika Maya Jovanka
Jurnal Kimia Fullerene Vol 10 No 1 (2025): Fullerene Journal Of Chemistry
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37033/fjc.v10i1.713

Abstract

Cancer is recognized as a leading cause of death globally, responsible for approximately 14.5% of all deaths,. Cyclosenegalin A showed activity against DU-145 human prostate cancer cell line with IC50 of54.92.35μM. This study aims to investigate whether the cyclosenegalin A compound can interact with the target receptors 4IEH and potentially act as an anticancer candidate. The results of the study show that the docking of cyclosenegalin A with the 4IEH receptor yielded the best results, with an affinity value of -8.88 kcal/mol. The hydrogen bonding at the GLY 104, ASP 70, VAL 92, and GLU 95 amino acids was identical to that observed in the standard ligand, n-heteroarilsulfonamides. The interaction between cyclosenegalin A and the target receptor is effective, indicating that cyclosenegalin A holds potential as an anti-cancer candidate.
Co-Authors Anderson Arnold Aloanis Paat, Vlagia Indira Rymond Jusuf Rumampuk