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Natural informatics Team

Natural Product Informatics Team
"Development of bioactive natural product analysis platform"
  • Development of analytical techniques for bioactive natural product discovery
  • Overall profiling of natural products
CONTACT
  • Hwan Yu (Ph.D./Team Leader)hyoo@bmdrc.org

Mission of natural product informatics team

Natural product has been an important source of biologically active compounds in that they have novel biological activities with novel scaffolds. Major discoveries were carried out using analytical instruments such as MS, and NMR which generate analytical data of natural products. Structural information along with biological activity data boosted drug development processes, with astonishing improvement of structure based optimization approach. This dogma is now become a heart of medicinal chemistry and other related industries. Many challenges for medicinal chemistry communities involve those complex analytical data a Those instrument generating large and complex data on plant Comprehensive understanding and utilization of bioactive plant metabolites The natural product informatics team contributes BM

natural product informatics team

Skill

team skill
MS analysis
MS analysis

Mass spectrometry, along with other chromatography techniques, is a fundamental element of mixture analysis in compound identification process.
Analysis of natural product is entering a new stage harnessing comprehensive natural product database and 15T ESI-FT-ICR MS with >1 million resolution.
Handling of large database and cheminformatic/statistical process became essential part with state-of-art analytical chemistry techniques, whereas experiment itself was core in the past.
Natural product informatics team is now working on a development of a platform which provides efficient processing of high resolution data, and semi-quantitative profiling of metabolomics studies.
The platform is boosting up biological, functional analyses of plant and animal samples.

NMR Analysis
NMR Analysis

Since early 20th, NMR techniques were introduced in organic chemistry field, resulting revolution in structure elucidation process of organic molecules.
Now, early 21st, various progressions are ongoing in NMR field. Natural product informatics team is working on identification of natural compounds in sample extract using 800MHz LC-SPE-NMR.
Solid phase extraction system plugged with liquid chromatography gives good spectrum data by separating and accumulating the molecular entity.
By application of mixture separation algorithm along with analysis algorithm, molecular structure of novel compounds will be elucidated in automated manner.

Informatics
Informatics

Informatics is the science of computer information systems. It involves storage, process, access, and communication of information.
Natural product informatics team uses Cheminformatics techniques to manage heterogenous data from different fields: experimental data such as FT-ICR MS, NMR spectrum, chemical DB containing physicochemical properties, and literature data concerning biology, pharmacology, medical sciences, and traditional medicines. FG database, a pile of such heterogeneous data, provides firm basis for natural product research by inferring unknown information, which was derived from known data. Networking, a visual representation of cross relationship between compounds and biological activities, is useful enough to give an academic insight to researchers.
Network construction in database is based on in silico structure-activity prediction model. Biological activity of previously unknown compounds can be inferred by object oriented network, followed by structural similarity calculation. The final compounds is found to be ‘active’.

Project

Present Project
National Coordinating center for global cosmetics
  • Screening of skin effective traditional material by bioinformatics and high-throughput profiling systems

Team Staff

hwan you Hwan You
Team Leader
Yonsei University, Department of Biotechnology
BMDRC, Natural product informatics team
Biotechnology
hyoo@bmdrc.org
Sangwon Lee Sangwon Lee
Researcher
Yonsei University, Department of Biotechnology
BMDRC, Natural product informatics team
Biotechnology
swlee@bmdrc.org
Seo myung won Seo myung won
Researcher
Yonsei University, Department of Biotechnology
BMDRC, Natural product informatics team
Biotechnology
mwseo@bmdrc.org
Ki Beom Shin Ki Beom Shin
Researcher
Yonsei University, Department of Biotechnology
BMDRC, Natural product informatics team
Biotechnology
gbshin@bmdrc.org

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