IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v16y2025i1d10.1038_s41467-025-60468-z.html
   My bibliography  Save this article

Optimizing enzyme inhibition analysis: precise estimation with a single inhibitor concentration

Author

Listed:
  • Hyeong Jun Jang

    (KAIST
    Institute for Basic Science)

  • Yun Min Song

    (Institute for Basic Science
    KAIST)

  • Jang Su Jeon

    (Chungnam National University)

  • Hwi-yeol Yun

    (Chungnam National University
    Chungnam National University)

  • Sang Kyum Kim

    (Chungnam National University)

  • Jae Kyoung Kim

    (Institute for Basic Science
    KAIST
    Korea University)

Abstract

Enzyme inhibition analysis is essential in drug development and food processing, necessitating precise estimation of inhibition constants. Traditionally, these constants are estimated through experiments using multiple substrate and inhibitor concentrations, but inconsistencies across studies highlight a need for a more systematic approach to set experimental designs across all types of enzyme inhibition. Here, we address this by analyzing the error landscape of estimations in various experimental designs. We find that nearly half of the conventional data is dispensable and even introduces bias. Instead, by incorporating the relationship between IC50 and inhibition constants into the fitting process, we find that using a single inhibitor concentration greater than IC50 suffices for precise estimation. This IC50-based optimal approach, which we name 50-BOA, substantially reduces (>75%) the number of experiments required while ensuring precision and accuracy. Additionally, we provide a user-friendly package that implements the 50-BOA.

Suggested Citation

  • Hyeong Jun Jang & Yun Min Song & Jang Su Jeon & Hwi-yeol Yun & Sang Kyum Kim & Jae Kyoung Kim, 2025. "Optimizing enzyme inhibition analysis: precise estimation with a single inhibitor concentration," Nature Communications, Nature, vol. 16(1), pages 1-14, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-60468-z
    DOI: 10.1038/s41467-025-60468-z
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-025-60468-z
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/s41467-025-60468-z?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-60468-z. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.