6-OXA-3-THIAOCTANOIC ACID HAS POTENTIAL INHIBITORS AGAINST THYROID CANCER- IN-SILICO ANALYSIS

摘要

Cancer is an uncontrollable incurable disease with abnormal growth and proliferation of cells. Thyroid cancer is caused due to the thyroid hormone effects on growth, development and homeostasis in mammals. Thyroid cancer is the most common endocrine malignancy. Thyroid hormone is encoded by two types of thyroid receptors that are TRα and TRβ. TRα is functionally divided in two types TRα1 and TRα2. TRα1 is expressed first during fetal development and is widely expressed in adult tissues. Over-expression of TRα1 has shown its ability to trigger hyper-proliferation and to accelerate the tumeorigenic process in developing intestinal cancer. The novelty of our approach is to demonstrate the inhibitory activity of a plant extract compound against TRα1 using In-silico methods. Andrographis paniculata plant leaf is extracted with Methanol and three compounds were identified from GC-MS analysis. The 3D crystal structure of the thyroid cancer for Thyroid hormone receptor alpha1?(ID: 1NAV) were retrieved from the Protein Data Bank (PDB) and was used for carrying out the molecular docking calculation. The result shows that, of three compounds extracted from A. paniculata leaves, compound 6-Oxa-3-thiaoctanoic acid exhibits potential inhibitory activity against TRα1.