Extraction, Analysis of Natural Products and Their Applications in Medicinal Chemistry

Dear Colleagues,

Modern drug discovery is a complex, interdisciplinary process that combines cutting-edge computational and synthetic methods with rigorous in vitro and in vivo evaluations. This Special Issue will delve into the dynamic interface between natural product chemistry and pharmaceutical sciences, emphasizing both the traditional use of medicinal plants and the innovative techniques that are transforming drug development.

Natural products represent a substantial source of structurally diverse secondary metabolites derived from plants, animals, and microbes. Despite the long-standing utilization of these bioactive compounds in traditional medicine, their comprehensive therapeutic potential remains scientifically unsubstantiated in many cases. Recent advancements in green extraction methods, such as supercritical fluids, ultrasound, and microwave-assisted methods, in conjunction with high-resolution analytical techniques, have now enabled precise isolation, identification, and quantification of natural bioactive compounds.

At present, advancements in pharmaceutical chemistry, encompassing target-based design, sophisticated chromatographic and spectroscopic analyses, and computer-assisted drug design, are facilitating the identification of novel therapeutic agents.

For this Special Issue, “Extraction, Analysis of Natural Products and Their Applications in Medicinal Chemistry”, we seek comprehensive, high-quality studies that integrate phytochemical analysis into pharmacological evaluations.

Topics of interest include, but are not limited to, the following:

• Optimization of eco-efficient extraction processes for natural products
• Isolation, identification, and quantitative assessment of bioactive compounds;
• Applications of advanced analytical techniques (e.g., LC-MS/MS, GC-MS, NMR spectroscopy, mass spectrometry imaging, etc.) for structural elucidation and quantification of natural products
• In vitro and in vivo studies that elucidate the pharmacological mechanisms and therapeutic potential of natural products;
• The integration of computational tools, including machine learning and artificial intelligence, into virtual screening, structure prediction, and optimization for drug candidates;
• Multidisciplinary approaches that bridge traditional natural product uses and modern pharmaceutical innovation.

Dr. Hanae El Monfalouti
Dr. Taoufiq Benali
Dr. Nada Kheira Sebbar
Guest Editors

Manuscript Submission Information

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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 2400 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.

• bioactive compounds
• natural products
• green extraction
• analytical characterization
• drug discovery
• pharmacological evaluation
• target-based drug design
• phytochemistry
• computational screening