Earticle

초록

영어

Metabolic syndrome(MetS) is a global public health issue that significantly increases morbidity and mortality while decreasing the quality of life. Characterized by symptoms such as insulin resistance and dyslipidemia, it necessitates therapeutic strategies including the inhibition of enzymes involved in nutrient absorption and digestion. Natural products, especially those sourced from extreme environments like Antarctica, offer unique chemical structures suitable for drug discovery. In this study, metabolites were extracted and profiled from a rare Antarctic moss, named An-MS1. The spectral data obtained from LC-MS/MS analysis of the methanol extract were processed to construct a molecular network, revealing the presence of 17 compounds. The pharmacological potential of the identified compounds was investigated through comprehensive in silico analysis. Molecular docking analysis was initially conducted to assess their interactions with target enzymes involved in MetS, specifically amylase, glucosidase, and lipase. The docking studies indicated significant inhibitory activity of several compounds against these enzymes. Furthermore, molecular dynamics simulations and SwissADME pharmacokinetic analyses were performed to evaluate the stability and pharmacological properties of the identified compounds. The results demonstrated that the identified compounds possessed favorable pharmacokinetic profiles and strong potential as novel enzyme inhibitors. This study reports the successful metabolite profiling of an Antarctic-derived moss and highlights its potential as a source of bioactive compounds for drug discovery. The findings suggest that a combined approach of metabolomics and in silico analysis can effectively accelerate the identification of new drug candidates from rare natural samples, which may have been previously overlooked.

목차

Abstract
1. Introduction
2. Method
2.1. Sample Collection and Extraction
2.2. Metabolite Profiling
2.3. In Silico Pharmacological Analysis
3. Results and Discussion
3.1. Metabolite Identification
3.2. Molecular Docking
3.3. Molecular Dynamics Simulation
3.4. Pharmacokinetic Analysis
4. Summary and Discussion
References

키워드

저자

• Hirotake Yamaguchi [ Department of Life Science and Biochemical Engineering, Sun Moon University, Asan 31460, Korea ]
• Ryoichi Yamada [ Department of Life Science and Biochemical Engineering, Sun Moon University, Asan 31460, Korea ]
• Kristina Lama [ Department of Life Science and Biochemical Engineering, Sun Moon University, Asan 31460, Korea ]
• Tae-Jin Oh [ Department of Life Science and Biochemical Engineering, Sun Moon University/ Genome-based BioIT Convergence Institute, Asan 31460, Korea ] Corresponding Author

참고문헌

발행기관

간행물

표지보기 관심저널 등록

• 간행물명

  선문효정학술연구회 학술대회 프로시딩

• 간기

  반년간

• 수록기간

  2023~2026

• 십진분류

  KDC 238 DDC 289