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: 20 May 2026 | Viewed by 693
Special Issue Editors
Interests: heterocyclic nitrogen compounds; pyrazolo condensed compounds; synthesis; gabaa receptor subtype; human neutrophil elastase 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
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Keywords
- heterocycles
- fused heteocycles
- synthesis
- small-molecules
- natural product
- drug design
- biological studies
- molecular modeling
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