Discovery of novel CDK2 inhibitor as antitumor agent based on Fragment-Based Drug Design

• Main Authors: Kuang-Hao Cheng, 鄭光浩
• Other Authors: Tzong-Yi Lee
• Format: Others
• Language: zh-TW
• Published: 2016
• Online Access: http://ndltd.ncl.edu.tw/handle/s8y4r9

碩士 === 元智大學 === 資訊工程學系 === 104 === Cyclin Dependent Kinase （CDK） is one of regutators for adjusting the cell cycle. When the cycling of Cyclin Dependent Kinase (cdk) disorders can cause abnormal cell cycle regulation, this is one of the important causes of cancer tumors. Malignant tumor is a cause harm to human life and health of deadly skin cancer. Malignant tumor incidence in the vast majority of developing countries. Therefore, malignant tumor is already important issues of common concern to of all mankind. Understand the cancer causes and molecular mechanism, and looking for low hazard and high potency drugs has become a major task of malignant tumor research. Malignant tumor is a progressive cell cycle dysregulation disease, because dysregulated cell cycle dependent kinase (cdk) directly or indirectly lead to abnormal cell cycle regulation. CDK2 is one of critical cyclin-dependent kinase can inhibit cyclin dependent kinase activity can relieve malignant tumor. Here, we have collected an analyzed the protein complex structures of CDK 2 family from Protein Data Bank. In this study, we aim to find the new inhibitor, using virtual small molecule Fragment-Based Drug Design (FBDD) and Docking to find the new CDK2 inhibitor.