IN SILICO STUDY OF CHEMICAL COMPOUNDS FROM ARECA NUT (ARECA CATECHU L.) ON GABAA RECEPTOR AS ANTI-INSOMNIA CANDIDATES

Authors

  • RESMI MUSTARICHIE Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia, 45363
  • SANDRA MEGANTARA Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia, 45363
  • NYI MEKAR SAPTARINI Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia, 45363
  • SARAH HUSNA HAYATI Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Indonesia, 45363

DOI:

https://doi.org/10.22159/ijap.2022.v14s5.15

Keywords:

Insomnia, Areca nut, Molecular docking, ADMET prediction

Abstract

Objective: In silico study of chemical compounds from areca nut (Areca catechu) on GABAA receptor as anti-insomnia candidates.

Methods: Prediction and molecular docking of chemical compounds from areca nut with GABAA receptors to find out which compounds are most likely to be anti-insomnia therapy candidates.

Results: Molecular docking with AutoDock Vina and ADMET prediction via PreADMET website. Molecular docking and ADME predictions show that there is one potential anti-insomnia compound called syringic acid that has the most amino acid residues in common with the native ligand and standard drug compared to other compounds, as well as producing free energy (ΔG) and inhibition constants (Ki) lower than the native ligand. Syringic acid also has a weak bond with plasma proteins. However, in the parameters of toxicity, syringic acid exhibits carcinogenic and mutagenic properties.

Conclusion: Based on the results of molecular docking and ADME prediction obtained one compound with the best results can be used as a candidate for anti-insomnia drugs, namely syringic acid.

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Published

27-12-2022

How to Cite

MUSTARICHIE, R., MEGANTARA, S., SAPTARINI, N. M., & HAYATI, S. H. (2022). IN SILICO STUDY OF CHEMICAL COMPOUNDS FROM ARECA NUT (ARECA CATECHU L.) ON GABAA RECEPTOR AS ANTI-INSOMNIA CANDIDATES. International Journal of Applied Pharmaceutics, 14(5), 89–95. https://doi.org/10.22159/ijap.2022.v14s5.15

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