Innovative Approaches in Organic Synthesis and Functional Materials: From Design to Biological Impact
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Informatics".
Deadline for manuscript submissions: 20 December 2025 | Viewed by 556
Special Issue Editors
Interests: organic synthesis; computational chemistry; computer aided drug design; molecular modeling; computational studies of reaction mechanisms; molecular docking; QSAR; 1,3-dipolar cycloadditions
Special Issues, Collections and Topics in MDPI journals
Interests: pharmaceutical chemistry; drug design; medicinal chemistry; cryogel synthesis; water purification;
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
This Special Issue highlights cutting-edge organic and material chemistry research, focusing on the synthesis, detailed characterization, molecular informatics, and biological evaluation of bioactive molecules and functional materials. We invite contributions that delve into novel synthetic methodologies, advanced structural and spectroscopic analysis, and computational techniques such as molecular docking and predictive modeling to optimize biological interactions. This Special Issue also emphasizes the in vitro and in vivo evaluation of organic compounds and functional materials, with a particular interest in applications across fields such as medicine, agriculture, environmental science, and advanced materials.
Topics of interest include innovations in molecular design, computational strategies for bioactivity prediction, quantitative structure–activity relationships (QSARs) analysis, and sustainable chemistry practices. This multidisciplinary approach aims to bridge organic synthesis with real-world applications, fostering advances that support sustainable and health-focused solutions. We welcome contributions from researchers who wish to showcase novel insights and trends that underscore the vital role of organic molecules and materials in scientific and industrial progress.
Prof. Dr. Antonio Rescifina
Dr. Chiara Zagni
Guest Editors
Manuscript Submission Information
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Keywords
- organic synthesis
- bioactive molecules
- functional materials
- molecular informatics
- biological activity
- molecular docking
- computational chemistry
- drug design
- medicinal chemistry
- quantitative structure–activity relationships (QSARs)
- environmental applications
- sustainable chemistry
- natural products
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