Dem IPB wird erneut ein beispielhaftes Handeln im Sinne einer chancengleichheitsorientierten Personal- und Organisationspolitik bescheinigt. Das Institut erhält zum 6. Mal in Folge das TOTAL E-QUALITY…
Die Plant Science Student Conference (PSSC) wird seit 20 Jahren im jährlichen Wechsel von Studierenden der beiden Leibniz-Institute IPK und IPB organisiert. Im Interview erläutern Christina Wäsch…
Wessjohann, L. A.; Bartelt, R.; Brandt, W.;Natural and Nature-Inspired Macrocycles: A Chemoinformatic Overview and Relevant ExamplesMarsault, E. & Peterson, M. L., eds.77-100(2017)ISBN:978-1-11909-259-9DOI: 10.1002/9781119092599.ch4
This chapter discusses theoretical analyses and experimental studies of biologically and medicinally relevant macrocyclic compounds (MCs). The most important groups of macrocyclic natural products—excluding cyclopeptides—are discussed on the basis of selected examples. A common principle in the biosynthesis of most natural MCs is the primary synthesis of a linear precursor, followed by macrocyclization. Modification of the MC then leads to the final natural product. The chapter also focuses on the aspects of structure‐activity relationships (SAR) of macrocycles derived from chemoinformatic analyses and related theoretical methods. It further reviews the few examples that clearly show how chemoinformatics and modeling techniques, such as docking studies, can contribute essential information for drug design to improve their properties (mostly bioavailability or potency) and help to analyze and understand SAR of MCs. Finally, the chapter explores known aspects of quantitative SAR (QSAR) related to anticancer activities, antibiotics, HIV treatments, and other diseases.