Heterocycles for Drugs and Pesticides: Design, Synthesis, and Applications
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".
Deadline for manuscript submissions: 30 November 2026 | Viewed by 94
Special Issue Editor
Interests: pesticide chemistry; medicinal chemistry; heterocycles synthesis
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Heterocyclic scaffolds are valued structures in drug and pesticide discovery, serving as the core of numerous pharmaceuticals and agrochemicals. With the escalating challenges of drug resistance, environmental sustainability, and the demand for novel modes of action, the rational design and efficient synthesis of heterocycles have become pivotal for developing next-generation drugs and pesticides.
This Special Issue will highlight recent breakthroughs in bioactive heterocycles, and we welcome original research and comprehensive reviews that cover the following:
- rational design strategies for heterocyclic lead compounds based on computational chemistry, AI-driven molecular modeling, and structure–activity relationship (SAR) studies;
- innovative synthetic methodologies, including metal-catalyzed cross-coupling, C–H functionalization, multicomponent reactions, photochemical synthesis, and biocatalytic approaches toward complex heterocyclic systems;
- structural optimization of heterocyclic scaffolds for enhanced potency, selectivity, and reduced toxicity;
- biological evaluation encompassing antimicrobial, anticancer, and anti-inflammatory activities;
- heterocycles in pesticide discovery, including insecticidal, fungicidal, herbicidal, and antiparasitic agents.
We look forward to receiving your contributions.
Prof. Dr. Hong Dai
Guest Editor
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Keywords
- heterocycles
- drug design
- pesticides
- structure–activity relationship
- virtual screening
- biological evaluation
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