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Special Issue "Covalent Inhibitors in Drug Discovery and Chemical Biology"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 29 February 2020

Special Issue Editors

Guest Editor
Prof. Dr. Rui F. A. Moreira

Faculdade de Farmácia, Universidade de Lisboa, Lisbon, Portugal
Website | E-Mail
Interests: medicinal chemistry; design of enzyme inhibitors; activity-based protein profiling; infectious diseases; cancer
Guest Editor
Dr. Ana Sofia M. Ressurreição

Faculdade de Farmácia, Universidade de Lisboa, Lisbon, Portugal
Website | E-Mail
Interests: medicinal chemistry; drug design; drug-target protein profiling; infectious diseases; cancer

Special Issue Information

Dear Colleagues,

In recent years, covalent inhibitors have reemerged not only as useful chemical tools to study biological processes but also as therapeutic tools with clinical and regulatory validation. The unique reactivity of cysteine towards electrophilic warheads has made this residue the nucleophile of choice for covalent engagement with a protein of interest. While targeting cysteine residues with covalent inhibitors has afforded numerous successful case studies, the paucity of cysteine in the proteome limits the number of proteins that can be targeted by this approach. This drawback has led to the development of novel methodologies that include targeted covalent inhibitors (TCIs) designed to bind poorly conserved amino acids for covalent modification. With this Special Issue, we will provide the scientific community with a survey on the current advances in novel strategies and warheads that covalently modify different nucleophilic amino acids in proteins, and how these findings have been translated into new therapeutic solutions for specific unmet medical needs. Issues of utmost importance in designing efficacious and safe covalent inhibitors, such as modulation of the duration of action and management of toxicity risks, will also be addressed. Finally, we will include recent breakthroughs in activity-based protein profiling (ABPP), which has greatly expanded the proteome coverage using probes that exploit specific reactivity and/or structural features of active sites to achieve the covalent labeling of proteins.

Prof. Dr. Rui F. A. Moreira
Dr. Ana Sofia M. Ressurreição
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 papers will be 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. Molecules is an international peer-reviewed open access semimonthly 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 1800 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

  • Targeted covalent inhibitors
  • Mechanism-based drugs
  • Warhead reactivity
  • Activity-based protein profiling
  • Drug design
  • Protein modification

Published Papers

This special issue is now open for submission.
Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
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