Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
9.0
4.9
Journals
IJMS
Special Issues
Selected Papers from the 5th International Symposium on Frontiers in...
ijms-logo
Submit to Special Issue Submit Abstract to Special Issue Review for IJMS Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Selected Papers from the 5th International Symposium on Frontiers in Molecular Science (ISFMS)

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Biochemistry".

Deadline for manuscript submissions: 31 December 2025 | Viewed by 2803

Special Issue Editors

Prof. Dr. Yoshinori Marunaka

E-Mail Website
Guest Editor
1. Research Laboratory for Epithelial Physiology, Research Organization of Science and Technology, Ritsumeikan University BKC, Kusatsu 525-8577, Japan
2. Medical Research Institute, Kyoto Industrial Health Association, Kyoto 604-8472, Japan
Interests: diabetes mellitus; cancer; ion environments; interstitial fluid pH; ion transporters; ion channels
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Masayuki Takahashi

E-Mail Website
Guest Editor
School of Life Science and Technology, Tokyo Institute of Technology, Tokyo 152-8550, Japan
Interests: molecular mechanism of homologous recombination; anti-cancer drug design
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Yusaku Iwasaki

E-Mail Website
Guest Editor
Laboratory of Animal Science, Graduate School of Life and Environmental Sciences, Kyoto Prefectural University, Kyoto 606-8522, Japan
Interests: feeding regulation; glucose metabolism; obesity; diabetes; vagal sensory nerve; hypothalamus; hormones; neuropeptides
Prof. Dr. Atsushi Shiozaki

E-Mail Website
Guest Editor
Division of Digestive Surgery, Department of Surgery, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan
Interests: esophageal cancer, surgical oncology and cellular physiology
Prof. Dr. Akiyuki Taruno

E-Mail Website
Guest Editor
Department of Molecular Cell Physiology, Kyoto Prefectural University of Medicine, Kyoto 602-8566, Japan
Interests: ion channels; signaling/ion transport in taste and intestinal epithelia
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue was created in collaboration with the 5th International Symposium on Frontiers in Molecular Science (ISFMS 2025)—Molecular Regulatory Mechanisms of Biological Function and Drug Discovery based on Protein Structure/Function Analysis, which will be held in Kyoto, Japan, from August 26 to 29, 2025. It comprises six sessions. The conference participants are cordially invited to contribute a full manuscript to this Special Issue and receive a 20% discount on the Article Processing Charge.

ISFMS 2025 Sessions:

S1. Protein Structure and Molecular Dynamics

S2. Enzymes

S3. Membrane Proteins

S4. Cancer Target Proteins

S5. Drug Design and Solution to Drug Resistance Problem

S6. Physiological Functions of Proteins and Organ Interactions

Prof. Dr. Yoshinori Marunaka
Prof. Dr. Masayuki Takahashi
Prof. Dr. Yusaku Iwasaki
Prof. Dr. Atsushi Shiozaki
Prof. Dr. Akiyuki Taruno
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 250 words) can be sent to the Editorial Office for assessment.

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • protein structure and function
  • multidomain proteins
  • drug design and drug resistance
  • enzymes
  • molecular biology of galectins
  • glycobiophysics
  • NMR spectroscopy
  • specific sensory systems
  • brain and systemic function

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (2 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

Jump to: Other

22 pages, 5064 KB  
Article
Discovery of Galloyl–Flavonoid Conjugates as SARS-CoV-2 3CLpro Inhibitors: Understanding Binding Interactions Through Computational Approaches
by Nopawit Khamto, Panida Boontawee, Vachira Choommongkol, Kritsada Pruksaphon, Suwicha Patnin, Nuttee Suree, Panchika Prangkio and Puttinan Meepowpan
Int. J. Mol. Sci. 2025, 26(19), 9742; https://doi.org/10.3390/ijms26199742 - 7 Oct 2025
Viewed by 1058
Abstract
The emergence of SARS-CoV-2 in 2019 posed significant global public health challenges. One of the most promising targets for novel antiviral drug development is the SARS-CoV-2 main protease (3CLpro). In this study, fragment molecular orbital (FMO) calculations were conducted to provide [...] Read more.
The emergence of SARS-CoV-2 in 2019 posed significant global public health challenges. One of the most promising targets for novel antiviral drug development is the SARS-CoV-2 main protease (3CLpro). In this study, fragment molecular orbital (FMO) calculations were conducted to provide guidance for the structural modification of natural flavonoids, identifying the pyrogallol moiety as a key candidate. Natural flavonoids were chemically modified to generate 33 semi-synthetic derivatives through the introduction of various functional groups. Our findings revealed that the incorporation of a galloyl moiety significantly enhances anti-proteolytic activity against SARS-CoV-2 3CLpro, achieving up to a 23-fold increase compared to the activity of the parent compounds. Notably, 7-O-galloyl-DMC (40) exhibited the highest anti-proteolytic activity in an enzymatic assay. Additionally, molecular dynamics simulations provided atomic-level insights into the interactions between the galloyl moiety and 3CLpro. All galloylated flavonoid derivatives positioned their galloyl groups within the S1′ sub-pocket, facilitating hydrogen bonding and π-interactions, particularly with Thr26 and Leu27. These findings underscore the potential of the galloyl moiety as a crucial structural element for enhancing the binding affinity of flavonoids with inhibitory activity against SARS-CoV-2 3CLpro. Full article
(This article belongs to the Special Issue Selected Papers from the 5th International Symposium on Frontiers in Molecular Science (ISFMS))
►▼ Show Figures

Graphical abstract

Other

Jump to: Research

12 pages, 251 KB  
Conference Report
Report of the 5th International Symposium on Frontiers in Molecular Science (ISFMS 2025)
by Yoshinori Marunaka, Antonello Merlino, Maria Hrmova, Ye Chun Ruan, Atsushi Shiozaki, Masayuki Takahashi and Yusaku Iwasaki
Int. J. Mol. Sci. 2025, 26(18), 9239; https://doi.org/10.3390/ijms26189239 - 22 Sep 2025
Cited by 1 | Viewed by 876
Abstract
The 5th International Symposium on Frontiers in Molecular Science was held on 26–29 August 2025 in Kyoto (Japan), with the support of Kyoto Prefectural University and Kyoto Prefectural University of Medicine. It is evident that the event has proven to be significant, showcasing [...] Read more.
The 5th International Symposium on Frontiers in Molecular Science was held on 26–29 August 2025 in Kyoto (Japan), with the support of Kyoto Prefectural University and Kyoto Prefectural University of Medicine. It is evident that the event has proven to be significant, showcasing presentations of pioneering research achievements by internationally renowned researchers and fostering numerous stimulating discussions. The symposium’s objective was to identify and select key research themes within the domain of molecular science. Three plenary lecturers and numerous researchers of outstanding merit were invited by chairs to deliver keynote and invited lectures across six fields: S1. Protein Structure and Molecular Dynamics; S2. Enzymes; S3. Membrane Proteins; S4. Cancer Target Proteins; S5. Drug Design and Solution to Drug Resistance Problem; S6. Physiological Functions of Proteins and Organ Interactions. A total of 185 scientists from 31 countries/regions participated in the symposium with 139 presentations. We would like to express our sincere gratitude to the 31 members of the Scientific Committee and the seven members of the Local Organizing Committee who contributed to enhancing the quality of this symposium, ensuring its smooth operation, and dedicating considerable effort to the selection of each award. Full article
(This article belongs to the Special Issue Selected Papers from the 5th International Symposium on Frontiers in Molecular Science (ISFMS))
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-2
Back to TopTop