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Special Issue "Design, Synthesis, and Biological Evaluation of Enzyme Inhibitors"

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

Deadline for manuscript submissions: 30 November 2019

Special Issue Editor

Guest Editor
Prof. Dr. Orazio Nicolotti

Università di Bari, Dipartimento di Farmacia-Scienze del Farmaco, Bari, Italy
Website | E-Mail
Interests: drug design; QSAR; predictive toxicology; combinatorial library design; evolutionary algorithms; docking and molecular dynamics

Special Issue Information

Dear Colleagues,

The rational discovery of enzyme inhibitors represents a topic of intense interest in medicinal chemistry as they represent a large fraction of the orally active drugs in the current clinical use. This Special Issue will focus on the design, synthesis, and biological evaluation of enzyme inhibitors. Emphasis can be placed on the existing practices and future directions of the rational discovery of enzyme inhibitors. In this respect, the fascinating question is how to translate the knowledge of catalytic mechanisms of specific targets to design small drug-like high potent and selective inhibitors. You can contribute by submitting full research papers, short communications, or reviews. We also welcome contributions exploring current developments in chemical biology, drug design, molecular recognition processes, structure–activity relationships, target validation, druggability, ADME studies, theoretical approaches such as molecular docking and molecular dynamics, virtual screening, synthesis, and biological evaluation of enzyme inhibitors.

Prof. Dr. Orazio Nicolotti
Guest Editor

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.


  • Drug design
  • Structure–activity relationships
  • ADME
  • Biological evaluation
  • Synthesis
  • Target validation
  • Druggability

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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