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Laccase mediator systems: Virtual screening for Natural mediators

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  • 발행기관
    선문효정학술연구회 바로가기
  • 간행물
    The Journal of Sciences and Innovation for Sustainable Peace(구 The journal of Hyojeong Academia) 바로가기
  • 통권
    Vol. 3 No. 1 (2025.03)바로가기
  • 페이지
    pp.3-8
  • 저자
    Jayram Karmacharya, Prasansah Shrestha, Tae-Jin Oh
  • 언어
    영어(ENG)
  • URL
    https://www.earticle.net/Article/A481820

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원문정보

초록

영어
Industries are increasingly turning to green chemistry, with laccase enzymes garnering attention due to their ability to use oxygen to produce water as a by-product while catalyzing a wide range of reactions. Bacterial laccases, though less explored, offer stability at high temperatures and pH levels. However, they require mediator systems to handle complex molecules. Structure-based virtual screening aids in identifying suitable mediators, potentially reducing costs, and accelerating discovery. These techniques rely solely on the target protein three-dimensional structure and do not require knowledge of the unique bioactivity of the protein. As a result, structure-based approaches are theoretically more adaptive to unknown protein and ligand compounds than ligand-based ap-proaches. Therefore, we aimed to screen and compare the efficacy of natural mediators over the artificial mediators for laccase oxidation. Here, we predicted that natural mediators like coumaric acid and ferulic acid showed promise comparable to artificial ones, such as N-hydroxythalimide and N-hydroxyacetanilide respectively, in computational assessments (binding energy), suggesting virtual screening’s potential in mediator discovery.

목차

Abstract
1. Introduction
2. Materials and Methods
2.1. Data sources
2.2. Virtual screening of mediators’ molecules
3. Results
3.1. Enzyme structure prediction and docking with mediator molecules
3.2. Comparison of Natural and Artificial mediators based on binding affinity values
4. Discussion
5. Conclusions
References

키워드

Laccase Natural mediators Artificial mediators Affinity score

저자

  • Jayram Karmacharya [ Department of Life Science and Biochemical Engineering, Sun Moon University, Asan 31460, Korea ]
  • Prasansah Shrestha [ Genome-based Bio-IT Convergence Institute, Sun Moon University ]
  • Tae-Jin Oh [ Department of Life Science and Biochemical Engineering, Sun Moon University/Genome-based Bio-IT Convergence Institute, Sun Moon University/Bio Bigdata-based Chungnam Smart Clean Research Leader Training Program, Sun Moon University/Department of Pharmaceutical Engineering and Biotechnology, Sun Moon University ] Corresponding Author

참고문헌

자료제공 : 네이버학술정보

간행물 정보

발행기관

  • 발행기관명
    선문효정학술연구회 [Sun Moon Hyojeong Academy Society]
  • 설립연도
    2023
  • 분야
    복합학>학제간연구
  • 소개
    Journal of Hyojeong Academia aims to serve as a global platform where researchers and scholars of various disciplines can contribute ideas for our sustainable global community of Co‐existence, Co‐prosperity, and Co‐righteousness. The journal is a multidisciplinary, open‐access, internationally peer‐reviewed academic journal, and it invites all areas of research conducted in the spirit of post materialism including studies centering on God, studies unifying religions and sciences, and studies on all aspects of Co‐existence, Co‐prosperity, and Co‐righteousness.

간행물

  • 간행물명
    The Journal of Sciences and Innovation for Sustainable Peace(구 The journal of Hyojeong Academia)
  • 간기
    반년간
  • pISSN
    2982-9305
  • 수록기간
    2023~2026
  • 십진분류
    KDC 238 DDC 289

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