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Advances of Enzyme Inhibitors and Activators in Drug Research

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

Deadline for manuscript submissions: 31 October 2024 | Viewed by 1660

Special Issue Editor

1. State Key Laboratory of Natural Medicines, Jiang Su Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing 210009, China
2. Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 210009, China
Interests: drug discovery; medicinal chemical biology; bioinformatics; molecular optimization; cancer immunotherapy

Special Issue Information

Dear Colleagues,

Enzymes are important drug targets. Nearly half of the top 100 best-selling drugs in the world are inhibitors or activators of enzymes. In recent years, the discovery of enzyme regulators has entered a prosperous age. With the vigorous development of life sciences and computer-aided virtual screening technology, as well as the innovation of modern separation and analytical techniques and related frontier technology, series of novel methods and technologies for efficient discovery and high-throughput screening of enzyme inhibitors or activators have emerged. This issue will focus on new methods and techniques to achieve more efficient and accurate screening and discovery of enzyme inhibitors or activators from natural resources or a compound library. Across these fields of study, special attention is given to the advances in drug design strategies, allosteric enzyme inhibitors or activators, structure–activity relationships, and chemical biology.

Dr. Xiaoli Xu
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 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. 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 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

  • enzyme inhibitors and activators
  • drug discovery
  • allosteric inhibition
  • structure–activity relationships
  • chemical biology

Published Papers (1 paper)

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Research

20 pages, 4498 KiB  
Article
Fluoroquinolone Analogs, SAR Analysis, and the Antimicrobial Evaluation of 7-Benzimidazol-1-yl-fluoroquinolone in In Vitro, In Silico, and In Vivo Models
by Mitzzy Fátima Medellín-Luna, Hiram Hernández-López, Julio Enrique Castañeda-Delgado, Fidel Martinez-Gutierrez, Edgar Lara-Ramírez, Joan Jair Espinoza-Rodríguez, Salvador García-Cruz, Diana Patricia Portales-Pérez and Alberto Rafael Cervantes-Villagrana
Molecules 2023, 28(16), 6018; https://doi.org/10.3390/molecules28166018 - 11 Aug 2023
Viewed by 1476
Abstract
Structure–activity relationship (SAR) studies allow the evaluation of the relationship between structural chemical changes and biological activity. Fluoroquinolones have chemical characteristics that allow their structure to be modified and new analogs with different therapeutic properties to be generated. The objective of this research [...] Read more.
Structure–activity relationship (SAR) studies allow the evaluation of the relationship between structural chemical changes and biological activity. Fluoroquinolones have chemical characteristics that allow their structure to be modified and new analogs with different therapeutic properties to be generated. The objective of this research is to identify and select the C-7 heterocycle fluoroquinolone analog (FQH 1–5) with antibacterial activity similar to the reference fluoroquinolone through in vitro, in silico, and in vivo evaluations. First, SAR analysis was conducted on the FQH 1–5, using an in vitro antimicrobial sensibility model in order to select the best compound. Then, an in silico model mechanism of action analysis was carried out by molecular docking. The non-bacterial cell cytotoxicity was evaluated, and finally, the antimicrobial potential was determined by an in vivo model of topical infection in mice. The results showed antimicrobial differences between the FQH 1–5 and Gram-positive and Gram-negative bacteria, identifying the 7-benzimidazol-1-yl-fluoroquinolone (FQH-2) as the most active against S. aureus. Suggesting the same mechanism of action as the other fluoroquinolones; no cytotoxic effects on non-bacterial cells were found. FQH-2 was demonstrated to decrease the amount of bacteria in infected wound tissue. Full article
(This article belongs to the Special Issue Advances of Enzyme Inhibitors and Activators in Drug Research)
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