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Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds

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

Deadline for manuscript submissions: 30 November 2024 | Viewed by 1202

Special Issue Editors


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Guest Editor
CICS-Health Sciences Research Center, Faculty of Health Sciences, University of Beira Interior, Covilhã, Portugal
Interests: organic synthesis; synthesis of new organic compounds with medicinal and pharmaceutical interests
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
CICS-Health Sciences Research Center, Faculty of Sciences, University of Beira Interior, Covilhã, Portugal
Interests: chemical synthesis; development of new synthetic processes; heterocyclic compounds; compounds with medicinal and pharmaceutical interests
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
CICS—Health Sciences Research Center, Faculty of Health Sciences, University of Beira Interior, 6201-001 Covilhã, Portugal
Interests: design of bioactive compounds; chemical synthesis; biological evaluation; compounds with medicinal and pharmaceutical interests
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The design, synthesis, and biological evaluation of new compounds constitute a relevant strategy in modern drug discovery. The discovery and development of new modern drugs require a deep understanding of the biological pathways involved in the disease, as well as the structure of molecules that can act as bioactive compounds.

Bioactive compounds are molecules that exert pharmacological and/or toxicological effects on a living organism, tissue, or cell, and can be extracted from natural compounds, mainly secondary metabolites, from plants or other types of living organisms. These compounds can also be obtained using different strategies, such as organic synthesis of new molecules, or via the modification of existing ones, followed by biological screening. In silico-based methods are being increasingly used to support the different steps of this process.

This Special Issue aims to collect the most recent developments regarding the design, synthesis, and biological evaluation of bioactive compounds that can lead to an increase in natural or synthetic small active molecules in the search for promising new drugs to prevent and/or treat human diseases.

Therefore, we kindly invite researchers to contribute manuscripts that not only focus on the design and synthesis of bioactive compounds as well as relevant synthetic intermediates, but also on their in vitro or in vivo biological evaluation.

Dr. Renato Emanuel Felix Boto
Prof. Dr. Paulo Jorge da Silva Almeida
Dr. Samuel Martins Silvestre
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. 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

  • bioactive compounds
  • design
  • synthesis
  • biological evaluation
  • in silico evaluation
  • in vitro evaluation
  • in vivo evaluation

Published Papers (1 paper)

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Research

15 pages, 1692 KiB  
Article
Evaluation of the Feasibility of In Vitro Metabolic Interruption of Trimethylamine with Resveratrol Butyrate Esters and Its Purified Monomers
by Ping-Hsiu Huang, De-Quan Chen, Yu-Wei Chen, Ming-Kuei Shih, Bao-Hong Lee, You-Lin Tain, Chang-Wei Hsieh and Chih-Yao Hou
Molecules 2024, 29(2), 429; https://doi.org/10.3390/molecules29020429 - 16 Jan 2024
Viewed by 809
Abstract
Resveratrol (RSV), obtained from dietary sources, has been shown to reduce trimethylamine oxide (TMAO) levels in humans, and much research indicates that TMAO is recognized as a risk factor for cardiovascular disease. Therefore, this study investigated the effects of RSV and RSV-butyrate esters [...] Read more.
Resveratrol (RSV), obtained from dietary sources, has been shown to reduce trimethylamine oxide (TMAO) levels in humans, and much research indicates that TMAO is recognized as a risk factor for cardiovascular disease. Therefore, this study investigated the effects of RSV and RSV-butyrate esters (RBE) on the proliferation of co-cultured bacteria and HepG2 cell lines, respectively, and also investigated the changes in trimethylamine (TMA) and TMOA content in the medium and flavin-containing monooxygenase-3 (FMO3) gene expression. This study revealed that 50 µg/mL of RBE could increase the population percentage of Bifidobacterium longum at a rate of 53%, while the rate was 48% for Clostridium asparagiforme. In contrast, co-cultivation of the two bacterial strains effectively reduced TMA levels from 561 ppm to 449 ppm. In addition, regarding TMA-induced HepG2 cell lines, treatment with 50 μM each of RBE, 3,4′-di-O-butanoylresveratrol (ED2), and 3-O-butanoylresveratrol (ED4) significantly reduced FMO3 gene expression from 2.13 to 0.40–1.40, which would also contribute to the reduction of TMAO content. This study demonstrated the potential of RBE, ED2, and ED4 for regulating TMA metabolism in microbial co-cultures and cell line cultures, which also suggests that the resveratrol derivative might be a daily dietary supplement that will be beneficial for health promotion in the future. Full article
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