Computational Modeling of Metabolite-Modulated Cellular Processes

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Bioinformatics and Data Analysis".

Deadline for manuscript submissions: 30 April 2026

Special Issue Editors


E-Mail Website
Guest Editor
Computational Systems Biology Laboratory, Graduate School of Science and Technology, Nara Institute of Science and Technology, Ikoma 630-0192, Japan
Interests: networks biology systems; chemoinformatics and biological databases
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Computational Systems Biology Laboratory, Graduate School of Science and Technology, Nara Institute of Science and Technology, Ikoma 630-0192, Japan
Interests: systems biology; complex systems models; using statistical models; deep learning models
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Small molecules or metabolites within living systems offer a unique window into cellular function and health. Metabolites are influenced by various factors such as diet, gut microbiome, drugs, and disease. Plant metabolites, commonly known as natural products, can be utilized as effective drugs, supplements, and in cosmetics. For this Special Issue, we welcome the submission of all manuscripts that explore computational metabolomics, including the development and application of mathematical and computational techniques to simulate how metabolites influence and regulate cellular functions. Other topics of interest include, but are not limited to, the following: machine learning tools and algorithms for analyzing metabolomic data; models integrating data from genomics, transcriptomics, proteomics, and metabolomics to build dynamic representations of metabolic networks and their interactions with signaling pathways and gene regulation. This Special Issue aims to be a valuable resource for researchers of computational metabolomics. By fostering collaboration between various branches of this field, we aim to accelerate the development of how we understand metabolites at the molecular level, leading to various applications in healthcare and the metabolite engineering industry.

Dr. Md. Altaf-Ul-Amin
Dr. Naoaki Ono
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • computational metabolomics
  • metabolic networks
  • metabolite-regulated cellular processes
  • natural products
  • drug discovery
  • metabolite biomarkers
  • machine learning algorithms

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Published Papers

This special issue is now open for submission.
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