In Slico Study of Green Tea (Camellia Sinensis) Extract Epigallocatechine Gallate as an Inhibitor of Alzheimer's and Myositis Using Beta Secretase 1

https://doi.org/10.24036/sainstek/vol2-iss02/32

Authors

  • Mohamad Zarqani Bin Yeop Chemical Engineering Studies, College of Engineering, Universiti Teknologi MARA Johor Branch , Pasir Gudang Campus, Bandar Seri Alam, Malaysia
  • Alifah Humaira Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia
  • Rismi Verawati Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia
  • Vira Marcella Winokan Department of Medicine, Faculty of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Indonesia
  • Rauza Sukma Rita Department of Biochemistry, Faculty of Medicine, Universitas Andalas, Indonesia
  • Himmatul Barroroh Chemistry Department, Faculty of Science and Technology, Universitas Islam Negeri Maulana Malik Ibrahim, Jl. Gajayana No.50 Malang, East of Java, Indonesia
  • Herland Satriawan Institute of Ocean and Earth Sciences, University of Malaya, 50603, Kuala Lumpur, Malaysia

Keywords:

Epigallocatechine Gallate, Alzheimer, Myositis, Beta Secretase 1, In Silico

Abstract

This research entitled "In Silico Study of Epigallocatechine Gallate Green Tea Extract (Camellia Sinensis) as an Alzheimer and Myositis Inhibitor Using Beta Secretase 1" examines the effectiveness of epigallocatechine gallate (EGCG) as an inhibitor of Alzheimer and Myositis. The research method used is in silico with PyMOL and Pyrex software for molecular simulation and Protein Plus for protein interaction analysis. Analysis of binding affinity calculations showed values of -8.1, -8.1, and -8.0 with RMSD values of 0, 1.443, and 1.767. This study produced evidence that there is an interaction between EGCG and Beta Secretase 1 which illustrates the potential of EGCG as an inhibitor of Alzheimer's and Myositis. Lepinski Rule analysis showed that EGCG has a molecular weight of 448, 8 hydrogen bond donors, 11 hydrogen bond acceptors, a log P value of -3.316 and a molar reactivity of 93.0303. These conclusions indicate that EGCG meets the criteria of Lepinski's rule as a good drug candidate, and therefore shows potential as a therapeutic agent in the treatment of Alzheimer's and Myositis.

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Published

2023-12-30

How to Cite

Yeop, M. Z. B. ., Humaira, A., Verawati, R., Winokan, V. M. ., Rita, R. S. ., Barroroh, H. ., & Satriawan, H. (2023). In Slico Study of Green Tea (Camellia Sinensis) Extract Epigallocatechine Gallate as an Inhibitor of Alzheimer’s and Myositis Using Beta Secretase 1. SAINSTEK International Journal on Applied Science, Advanced Technology and Informatics, 2(02), 72–81. https://doi.org/10.24036/sainstek/vol2-iss02/32

Issue

Vol. 2 No. 02 (2023): SAINSTEK International Journal on Applied Science, Advanced Technology and Informatics

Section

Articles
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