Heterocyclic Compounds: Molecular Modelling Studies and Pharmacological Investigation
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Biochemistry".
Deadline for manuscript submissions: 31 October 2025 | Viewed by 10
Special Issue Editors
Interests: heterocyclic nitrogen compounds; pyrazolo condensed compounds; Synthesis; gabaa receptor subtype; humanneutrophilelastase inhibitors; medicinal chemistry
Special Issues, Collections and Topics in MDPI journals
Interests: medicinal chemistry; organic synthesis; heterocycles; gabaa subtype receptors; HNE inhibitors; FPR
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleague,
Heterocyclic compounds containing oxygen, nitrogen, sulphur, and selenium atoms, also as fused rings, are widely present in nature and display a variety of activities, both biological and pharmacological, as well as toxic. There are well-known compounds containing heterocycle rings (e.g. cyclosporine A, paclitaxel, vincristine and vinblastine) isolated from fungi, venoms, and plants which are not only powerful drugs, but have also represented the starting point for new (semi)-synthetic derivatives endowed with pharmacological activity. Today, most drugs on the market show the heterocycle core, and the research is oriented towards the design of small molecules able to interact with biological targets such as receptors, enzymes and channels. Therefore, the synthesis of heterocycle compounds is of primary importance for new potential therapeutic agents and more.
This special Issue on ‘Heterocycles’ aims to collect contributions describing the synthesis of heterocyclic derivatives for therapeutic, cosmetic, and agricultural applications as well as molecular modelling studies and pharmacological investigation.
Dr. Gabriella Guerrini
Dr. Maria P. Giovannoni
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.
Keywords
- heterocycles
- fused heteocycles
- synthesis
- small-molecules
- natural product
- drug design
- biological studies
- molecular modeling
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.
Further information on MDPI's Special Issue policies can be found here.
