- P-ISSN 2233-4203
- E-ISSN 2093-8950
- P-ISSN2233-4203
- E-ISSN2093-8950
- ESCI, SCOPUS, KCI
Article Detail
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High-Throughput Active Compound Discovery using Correlations between Activity and Mass Profiles
Mass Spectrometry Letters / Mass Spectrometry Letters, (P)2233-4203; (E)2093-8950
2010, v.1 no.1, pp.13-16
https://doi.org/10.5478/MSL.2010.1.1.013
(Korea Basic Science Institute)
(Korea Basic Science Institute)
(Korea Basic Science Institute)
(Korea Basic Science Institute)
(Korea Basic Science Institute)
(Korea Basic Science Institute)
(Korea Basic Science Institute)
Park,
K. H., Yoon,
K. J., Kwon,
K., &
Kim,
H.
S.
(2010). High-Throughput Active Compound Discovery using Correlations between Activity and Mass Profiles. Mass Spectrometry Letters, 1(1), 13-16, https://doi.org/10.5478/MSL.2010.1.1.013
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Abstract
The active components in a plant extract can be represented as mass profiles. We introduce here a new, multi-compounddiscovery method known as Scaling of Correlations between Activity and Mass Profiles (SCAMP). In this method, a correlationcoefficient is used to quantify similarities between the extract activity and mass profiles. The method was evaluated byfirst measuring the anti-oxidation activity of eleven fractions of an Astragali Radix extract using DPPH assays. Next, 15 T Fouriertransformion cyclotron resonance (FT-ICR) MS was employed to generate mass profiles of the eleven fractions. A comparison ofcorrelation coefficients indicated two compounds at m/z 285.076 and 286.076 that were strong antioxidants. Principal componentanalyses of these profiles yielded the same result. FT-ICR MS, which offers a mass resolving power of 500,000, was used todiscern isotopic fine structures and indicated that the molecular formula corresponding to the peak at m/z 285.076 was C16H13O5. SCAMP in combination with high-resolution MS can be applied to any type of mixture to study pharmacological activity and is apowerful tool for active compound discovery in plant extract studies.
- keywords
- Active compound discovery, Activity-mass profile correlation coefficient, High resolution mass spectrometry, Mass profile, Plant extract, Astragali Radix
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- Submission Date
- 2010-11-15
- Revised Date
- 2010-11-24
- Accepted Date
- 2010-11-25
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