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Fundamental and Applicative Scientific Motivations to Pass the Border between Natural Multifunctional Molecules and Their Biomimetic Artificial Derivatives

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 31 October 2024 | Viewed by 28

Special Issue Editors

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Guest Editor
“Coriolan Dragulescu” Institute of Chemistry, 24 Mihai Viteazu Ave., 300223 Timisoara, Romania
Interests: organic chemistry; porphyrins; metalloporphyrins; colloid chemistry; material chemistry; sol-gel processes; nanomaterials; silica matrices; hybrid nanomaterials; aggregates; sensors; electrochemical mediators; catalysts; corrosion inhibitors; adsorbents
Special Issues, Collections and Topics in MDPI journals
Computational Chemistry, “Coriolan Dragulescu” Institute of Chemistry, Romanian Academy, 24 Mihai Viteazu Ave., 300223 Timisoara, Romania
Interests: computational chemistry; drug discovery; drug design; molecular simulation; SAR and QSAR; medicinal chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The purpose of this Special Issue is to enhance state-of-the-art fundamental knowledge and stimulate vanguard ideas for promising multidisciplinary applications.

The topics include, but are not limited to, heterocyclic building blocks containing nitrogen atoms, such as acridines, benzopyranes, benzotiazoles, indoles, benzimidazoles, carbazoles, and macrocycles nanomaterials, namely porphyrins and phthalocyanines, for clinical applications, nanomedicine, and nanoenergy.

These structures manifest fluorescence due to their highly extended π electron systems, thus being either suitable tools to study biological processes like cell cycle determination or acting as drugs for anticancer, antimalarial, antipsychotic, antidepressant, antidementia, anti-inflammatory, and telomerase inhibition.

On the other side, their technical applications as advanced photovoltaics, photocatalysts, and photoconductors are highly potentiated by thin-film new deposition technologies and enhanced by theoretical modeling developments.

From the synthetic challenges of non-natural analogs to structurally advanced characterization to possible successful use in medicine and technology, all of these aspects can be welcomed in this Special Issue.

Another important aspect of this Special Issue is to illustrate the advances in computational chemistry, as this technique has been proven to be an efficient tool in medicinal chemistry for the selection/establishment of hit molecules. Recent advancements in target-based systems have paved the way for enlarging the libraries of compounds and designing the most promising compounds using molecular docking methods.

Dr. Eugenia-Lenuta Fagadar-Cosma
Dr. Alina Bora
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.


  • multifunctional compounds (MFCs)
  • heterocyclic building blocks
  • macrocycles nanomaterials
  • clinical applications
  • nanomedicine
  • nanoenergy
  • cell cycle determination
  • medicinal chemistry
  • technical applications
  • computational chemistry

Published Papers

This special issue is now open for submission.
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