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In Silico Analysis of Picfeltarraenin IA and IB as Potential PI3K and EGFR Inhibitor | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X

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Abstract

In Silico Analysis of Picfeltarraenin IA and IB as Potential PI3K and EGFR Inhibitor

Author(s): Poppy Anjelisa Z Hasibuan, Denny Satria, Urip Harahap and Jansen Silalahi

Picfeltarraenin IA and IB are the steroid glycoside from Picria fel-terrae Lour., Have been traditionally used in medication. Epidermal growth factor receptor (EGFR) plays a critical role in the initiation and progression of a variety of human cancers, including breast cancer. An important signaling pathway downstream of EGFR is the PI3K/AKt pathway, which regulates cellular processes as diverse as cell growth, survival, proliferation and migration. In silico docking using PLANTS program and visualized by Yasara program. The model of three dimension enzyme structures used in this research were EGFR and Phosphatidylinositol-3-kinase (PI3K), binding pocket with the Protein Data Bank (PDB) code 1M17 and 3DBS . Two and three dimension of Picfeltarraenin IA, IB and ZSTK474 as the standard were generated using Marvin Sketch program. Both compounds and ZSTK474 inhibited EGFR and PI3K with docking score -101.7930; -104.6410, -91.7920 and -90.6176 -87.7705; -94.7491 respectively.


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