Integrated analysis of biological interaction of small molecules at the molecular level of living organisms

2014 Fiscal Year Final Research Report

• Project Area: Establishment of Integrative Multi-level Systems Biology and its Applications
• Project/Area Number: 23136102
• Research Category: Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
• Allocation Type: Single-year Grants
• Review Section: Complex systems
• Research Institution: Kyoto University
• Principal Investigator: YAMASHITA Fumiyoshi 京都大学, 薬学研究科(研究院), 准教授 (30243041)
• Co-Investigator(Kenkyū-buntansha): NIIJIMA Satoshi 京都大学, 薬学研究科, 助教 (30456834) ; INOGUCHI Akihiro 関西学院大学, 理工学部, 准教授 (70452456)
• Co-Investigator(Renkei-kenkyūsha): OKUNO Yasushi 京都大学, 医学研究科, 教授 (20283666) ; ITOH Takayuki お茶の水女子大学, 人間文化創成科学研究科, 教授 (80401595)
• Project Period (FY): 2011-04-01 – 2015-03-31
• Keywords: 生体生命情報学 / 薬物動態 / 構造活性相関 / 薬剤反応性 / 酵素誘導 / 生理学的モデル

Outline of Final Research Achievements

A disposition behavior of small molecules is integration of their interactions with biological organisms comprising of multi layers. in which the lowest events are molecular interactions. In this study, we established methods for systematically collecting information on interaction between small molecule drugs and ADME-related functional proteins and for analyzing their structure-activity relationship. Being exemplified by the prediction of enzyme induction-associated drug-drug interaction, a method for predicting effect of small molecule drugs on pharmacokinetics of other or its own molecules was also developed. We succeeded in reproducing the biological phenomena on an open platform for multi-level modeling and simulation of physiological system.

Free Research Field

薬物動態学