Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
7.8
5.6
Journals
IJMS
Special Issues
Editorial Board Members’ Collection Series: "Enzyme Inhibition"
ijms-logo
Submit to IJMS Review for IJMS Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Editorial Board Members’ Collection Series: "Enzyme Inhibition"

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

Deadline for manuscript submissions: closed (31 March 2024) | Viewed by 2383

Special Issue Editors

Prof. Dr. Claudiu T. Supuran

grade E-Mail Website
Guest Editor
Neurofarba Department, Section of Farmaceutical and Neutraceutical Sciences, University of Florence, Sesto Fiorentino, 50019 Florence, Italy
Interests: drug design; metalloenzymes; carbonic anhydrases; anticancer agents; antiinfectives; sulfonamides; coumarins
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Piotr Paneth

E-Mail Website
Guest Editor
1. International Centre for Research on Innovative Biobased Materials (ICRI-BioM)—International Research Agenda, Lodz University of Technology, Lodz, Poland
2. Faculty of Chemistry, Institute of Applied Radiation Chemistry, Lodz University of Technology, Lodz, Poland
Interests: isotope effects; mechanism of chemical and enzymatic reactions; enzyme inhibition; isotopic fractionation; isotope-ratio mass spectrometry; computational chemistry; docking
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The human genome only encodes for around 30,000 genes, which is one third of what was previously believed before the first genomes were cloned, and there has been still significant debate surrounding how many of them are druggable. Presently clinically used drugs act on around 400 of these targets pertaining to proteins, nucleic acids, and (more rarely) sugars or lipids, which belong to the human host or various pathogens (bacteria, fungi, protozoans, and other parasites). Around 50% of the known drug targets are enzymes; thus, enzyme inhibition (and, in some cases, activation) constitutes an important field of biomedical research and therapeutic intervention. The present Special Issue will address all research topics connected with enzymes, as well as their inhibition and activation, based on molecular biology, structural chemical biology, drug design, and pharmacological studies in the field. All enzyme classes will be considered as relevant proteins for such research topics, albeit with a preference for those connected to major biomedical problems, i.e., cancer, infectious diseases, drug resistance, obesity, as well as cardiovascular and central nervous system conditions.

Prof. Dr. Claudiu T. Supuran
Prof. Dr. Piotr Paneth
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. 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

  • enzyme inhibition
  • enzyme activators
  • magnesium/calcium-containing enzymes
  • zinc/iron enzymes
  • PROTACs
  • cancer
  • drug resistance
  • antiinfectives

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

16 pages, 4025 KiB  
Article
Leveraging SARS-CoV-2 Main Protease (Mpro) for COVID-19 Mitigation with Selenium-Based Inhibitors
by Viviana De Luca, Andrea Angeli, Alessio Nocentini, Paola Gratteri, Silvia Pratesi, Damiano Tanini, Vincenzo Carginale, Antonella Capperucci, Claudiu T. Supuran and Clemente Capasso
Int. J. Mol. Sci. 2024, 25(2), 971; https://doi.org/10.3390/ijms25020971 - 12 Jan 2024
Viewed by 1126
Abstract
The implementation of innovative approaches is crucial in an ongoing endeavor to mitigate the impact of COVID-19 pandemic. The present study examines the strategic application of the SARS-CoV-2 Main Protease (Mpro) as a prospective instrument in the repertoire to combat the [...] Read more.
The implementation of innovative approaches is crucial in an ongoing endeavor to mitigate the impact of COVID-19 pandemic. The present study examines the strategic application of the SARS-CoV-2 Main Protease (Mpro) as a prospective instrument in the repertoire to combat the virus. The cloning, expression, and purification of Mpro, which plays a critical role in the viral life cycle, through heterologous expression in Escherichia coli in a completely soluble form produced an active enzyme. The hydrolysis of a specific substrate peptide comprising a six-amino-acid sequence (TSAVLQ) linked to a p-nitroaniline (pNA) fragment together with the use of a fluorogenic substrate allowed us to determine effective inhibitors incorporating selenium moieties, such as benzoselenoates and carbamoselenoates. The new inhibitors revealed their potential to proficiently inhibit Mpro with IC50-s in the low micromolar range. Our study contributes to the development of a new class of protease inhibitors targeting Mpro, ultimately strengthening the antiviral arsenal against COVID-19 and possibly, related coronaviruses. Full article
(This article belongs to the Special Issue Editorial Board Members’ Collection Series: "Enzyme Inhibition")
►▼ Show Figures

Figure 1

25 pages, 9282 KiB  
Article
Combined In Silico and In Vitro Analyses to Assess the Anticancer Potential of Thiazolidinedione–Thiosemicarbazone Hybrid Molecules
by Agata Paneth, Barbara Kaproń, Tomasz Plech, Roman Paduch, Nazar Trotsko and Piotr Paneth
Int. J. Mol. Sci. 2023, 24(24), 17521; https://doi.org/10.3390/ijms242417521 - 15 Dec 2023
Viewed by 953
Abstract
The number of people affected by cancer and antibiotic-resistant bacterial infections has increased, such that both diseases are already seen as current and future leading causes of death globally. To address this issue, based on a combined in silico and in vitro approach, [...] Read more.
The number of people affected by cancer and antibiotic-resistant bacterial infections has increased, such that both diseases are already seen as current and future leading causes of death globally. To address this issue, based on a combined in silico and in vitro approach, we explored the anticancer potential of known antibacterials with a thiazolidinedione–thiosemicarbazone (TZD–TSC) core structure. A cytotoxicity assessment showed encouraging results for compounds 2–4, with IC50 values against T98G and HepG2 cells in the low micromolar range. TZD–TSC 3 proved to be most toxic to cancer cell lines, with IC50 values of 2.97 ± 0.39 µM against human hepatoma HepG2 cells and IC50 values of 28.34 ± 2.21 µM against human glioblastoma T98G cells. Additionally, compound 3 induced apoptosis and showed no specific hemolytic activity. Furthermore, treatment using 3 on cancer cell lines alters these cells’ morphology and further suppresses migratory activity. Molecular docking, in turn, suggests that 3 would have the capacity to simultaneously target HDACs and PPARγ, by the activation of PPARγ and the inhibition of both HDAC4 and HDAC8. Thus, the promising preliminary results obtained with TZD–TSC 3 represent an encouraging starting point for the rational design of novel chemotherapeutics with dual antibacterial and anticancer activities. Full article
(This article belongs to the Special Issue Editorial Board Members’ Collection Series: "Enzyme Inhibition")
►▼ Show Figures

Figure 1

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