研究

健康是品質生活的基本要素。微觀更深入理解生物分子如何與其他生物分子作用,以及配體如何與生物分子作用提昇我們在生物、藥物化學領域的知識。這些知識幫助我們增進健康,預防生病和治療疾病。我們實驗室使用電腦並結合物理化學原理,研究醫學,藥學,生物學的研究課題。

 

我們在做的主要是運用計算化學方法探討生物相關問題  主要集中在藥物發展/發現的方向上  透過分子模擬方法協助加速藥物的設計及發現  目前集中在癌症及神經退化性疾病藥物研發上  主要探討藥物及有藥性潛力化合物與目標生化分子之間作用力及其原理  以及細胞中生化反應網路之動力學  這方面著重的是  癌細胞與正常細胞生化反應網路之動力學的差異  運用方法包含: 分子動力學模擬、Docking (please see movies of docking computation here)、系統生物學方法、QSAR等。

 

潛力藥物化合物與標靶蛋白質之間的作用 (interaction between potential drug compound and target protein):

 

一個細胞訊息傳遞之生化反應網路, wnt 路徑, 與幾種癌症有關,特別是大腸直腸癌(reaction network of a cell signaling pathway: the wnt pathway. This pathway is relevant to a number of cancers, particularly colorectal cancer.):

1742-4682-6-13-1.jpg

 

 

此外 也掛上實驗室先前一研究主題-蛋白質摺疊-的一個研究結果:肽鍵折疊(一個simulation movie!)

 

Research

    

Health is an essential element of quality life. Deeper understandings of how biomolecules interact with other biomolecules and how ligands  interact with biomolecules microscopically enhance our knowledge in medicinal chemistry area. The enhanced knowledge are useful for enhancing health, preventing from illness, and curing diseases. Our lab uses computer combined with physical chemistry principles to study medical, pharmaceutical, and  biological research topics.

 

What we are doing are mainly using computational chemistry methods to explore bio-related issues, mainly focusing on direction of drug development/discovery. Through molecular modeling, we want to help/speed-up process of drug design and discovery. Currently, we focus on cancer and neurodegenerative diseases. We are looking at binding of drug and/or potential compounds with target bio-molecules and their binding principles. In addition to  this, we are also looking at kinetics of some pathways in cells, emphasizing on differences between cancer and normal cells. The methods we use include molecular dynamics simulation, docking (please see movies of docking computation here) , computational systems biology, and QSAR methods etc.

 

      Here, a peptide folding simulation movie, which was laboratory’s ex-research topic, is hung  as well: a movie of peptide folding simulation!