Synthesis of Bioactive Compounds: Spectroscopic, Crystallographic and Computational Studies
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: 31 July 2025 | Viewed by 263
Special Issue Editors
Interests: medicinal chemistry; organic chemistry; analytical chemistry; heterocyclic compounds; spectroscopic analysis; crystal structure; biological activity; molecular docking
Interests: medicinal chemistry; organic chemistry; analytical chemistry; heterocyclic compounds; spectroscopic analysis; crystal structure; biological activity; molecular docking
Special Issue Information
Dear Colleagues,
In the field of pharmaceuticals and medicinal chemistry, the strategic design, synthesis and structural characterization of bioactive compounds are at the forefront of innovation. This Special Issue delves into the intricate world of molecular and supramolecular analyses, exploring the diverse landscape of bioactive compounds and their potential applications in the discovery of drugs and medicinal chemistry.
Central to this Special Issue is the art and science of designing molecules with specific biological targets in mind. Researchers utilize a wide array of techniques, from computational modeling to structure–activity relationship studies, to create molecules with optimized biological properties, aiming to unlock new pathways for therapeutic intervention and disease management through innovative molecular design.
Therefore, this Special Issue will meticulously examine synthesis methodologies, ranging from classical organic chemistry techniques to cutting-edge synthetic biology approaches. These routes of synthesis not only enable the formation of target molecules but also facilitate the exploration of structure–activity relationships and the modification of molecular scaffolds to enhance bioactivity and selectivity.
For this Special Issue, we invite full-length research articles, communications and reviews reporting biological findings accompanied by comprehensive spectroscopic and/or crystallographic analyses. We also encourage submissions involving computational analyses focusing on molecular stability, chemical reactivity, molecular docking, ADMET and/or QSAR investigations.
Dr. Juan Castillo
Dr. Diana Becerra Córdoba
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.
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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
- medicinal chemistry
- organic chemistry
- analytical chemistry
- heterocyclic compounds
- spectroscopic analysis
- crystal structure
- biological activity
- computational analyses
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