Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
6.7
4.6
Journals
Molecules
Special Issues
Design, Synthesis and Applications of Bioactive Compounds
molecules-logo
Submit to Special Issue Submit Abstract to Special Issue Review for Molecules Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Design, Synthesis and Applications of Bioactive Compounds

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

Deadline for manuscript submissions: 31 July 2024 | Viewed by 645

Special Issue Editors

Prof. Dr. Ljubica Glavaš-Obrovac

E-Mail Website
Guest Editor
Faculty of Medicine, Josip Juraj Strossmayer University of Osijek, Josipa Huttlera 4, 31000 Osijek, Croatia
Interests: antitumor activity; anti-inflammatory activity; in vitro and in vivo; novel compounds
Dr. Maja Molnar

E-Mail Website
Guest Editor
Faculty of Food Technology Osijek, Josip Juraj Strossmayer University of Osijek, Franje Kuhača 18, 31000 Osijek, Croatia
Interests: green chemistry; synthesis; heterocyclic compounds; coumarins; quinazolinones
Special Issues, Collections and Topics in MDPI journals
Dr. Lidija-Marija Tumir

E-Mail Website
Guest Editor
Division of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička cesta 54, 10000 Zagreb, Croatia
Interests: supramolecular chemistry; DNA, RNA, nucleotide recognition; spectroscopy; heterocyclic chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Bioactive compounds are molecules that exhibit specific biological activities and are of great importance in various fields of science, health, and industry. They encompass a wide range of chemical entities, from natural products to rationally designed synthetic compounds, each with a unique bioactivity profile. These compounds play a central role in drug discovery, agricultural innovation, and materials science, making them central to advances in a variety of fields.

Our Special Issue, titled “Design, Synthesis and Applications of Bioactive Compounds”, presents a collection of cutting-edge research articles that address the creative design, efficient synthesis, examination of the structure–activity relationship, and diverse applications of bioactive compounds. This Special Issue serves as a knowledge hub for researchers, chemists, biologists, and biomedical and material scientists, highlighting the central role of design and synthesis in shaping the future of bioactive compounds and their diverse applications. Readers can explore these articles to appreciate the transformative potential of bioactive compounds and the remarkable work of scientists advancing this fascinating field.

Prof. Dr. Ljubica Glavaš-Obrovac
Dr. Maja Molnar
Dr. Lidija-Marija Tumir
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
  • molecular design
  • synthetic methods
  • natural products and modification of natural products
  • in silico drug design
  • structure–activity relationship
  • drug discovery
  • biomedical applications

Published Papers (1 paper)

Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

22 pages, 5892 KiB  
Article
New Triazole-Isoxazole Hybrids as Antibacterial Agents: Design, Synthesis, Characterization, In Vitro, and In Silico Studies
by Rachid Bouzammit, Salim Belchkar, Mohamed El fadili, Youssra Kanzouai, Somdutt Mujwar, Mohammed M. Alanazi, Mohammed Chalkha, Asmae Nakkabi, Mohamed Bakhouch, Emese Gal, Luiza Ioana Gaina and Ghali al houari
Molecules 2024, 29(11), 2510; https://doi.org/10.3390/molecules29112510 - 26 May 2024
Viewed by 291
Abstract
Novel isoxazole–triazole conjugates have been efficiently synthesized using 3-formylchromone as starting material according to a multi-step synthetic approach. The structures of the target conjugates and intermediate products were characterized by standard spectroscopic techniques (1H NMR and 13C NMR) and confirmed [...] Read more.
Novel isoxazole–triazole conjugates have been efficiently synthesized using 3-formylchromone as starting material according to a multi-step synthetic approach. The structures of the target conjugates and intermediate products were characterized by standard spectroscopic techniques (1H NMR and 13C NMR) and confirmed by mass spectrometry (MS). The all-synthesized compounds were screened for their antibacterial activity against three ATCC reference strains, namely Staphylococcus aureus ATCC 25923, Staphylococcus aureus ATCC BAA-44, and Escherichia coli ATCC 25922 as well as one strain isolated from the hospital environment Pseudomonas aeruginosa. The findings indicate that conjugate 7b exhibits a stronger antibacterial response against the tested Escherichia coli ATCC 25922 and Pseudomonas aeruginosa pathogenic strains compared to the standard antibiotics. Furthermore, hybrid compound 7b proved to have a bactericidal action on the Escherichia coli ATCC 25922 strain, as evidenced by the results of the MBC determination. Moreover, the ADMET pharmacokinetic characteristics revealed a favorable profile for the examined compound, as well as a good level of oral bioavailability. Molecular docking and molecular dynamics simulations were performed to explore the inhibition mechanism and binding energies of conjugate 7b with the proteins of Escherichia coli and Pseudomonas aeruginosa bacterial strains. The in silico results corroborated the data observed in the in vitro evaluation for compound 7b. Full article
(This article belongs to the Special Issue Design, Synthesis and Applications of Bioactive Compounds)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-1
Back to TopTop