Structure-Activity Relationships of Plant-Based Compounds

Dear Colleagues,

The biological activity of plant compounds is strongly determined by their molecular structure. This Special Issue will answer the question: which elements of the chemical structure of plant compounds have the greatest impact on biological activity? The structure–activity relationship (SAR) of plant compounds means that any change in the structure of a molecule, even a minor modification, can influence its biological properties, such as antioxidant, anti-inflammatory, anticancer, or toxicity. Elements of key importance include the functional group (hydroxyl –OH, carboxyl –COOH, or methoxy–OCH₃), molecular shape (including the presence of aromatic rings or specific atomic arrangements), the number and position of double bonds, and the presence of certain fragments (e.g., the hydroxyl group in polyphenols), which determine affinity for biological targets (e.g., enzymes, receptors) and the mode of interaction with them. Understanding these relationships allows, for example, the design and modification of plant compounds to increase their effectiveness or reduce side effects. This issue is important from a practical perspective, as, among other things, modifying the structure of existing plant compounds can lead to the creation of new drugs with improved therapeutic properties, such as greater potency or improved bioavailability. Understanding SAR relationships allows for the selection or modification of plant compounds to optimize their effectiveness in specific conditions, for example, as antioxidants in cardiovascular diseases. Identifying structures associated with negative effects allows for their modification or removal, leading to the creation of safer preparations.

Dr. Iwona Kowalska
Guest Editor

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