Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …

Important pathogens such as Mycobacterium tuberculosis and Plasmodium falciparum, the
causative agents of tuberculosis and malaria, respectively, and plants, utilize the 2 C-methyl …

Strukturbasiertes Ligandendesign in der medizinischen Chemie und im Pflanzenschutz
beruht auf der Identifizierung und Quantifizierung von schwachen, nichtkovalenten …

Abstract Structure‐based design (SBD) can be used for the design and/or optimization of
new inhibitors for a biological target. Whereas de novo SBD is rarely used, most reports on …

Isoprenoids, a diverse class of natural products, are present in all living organisms. Their two
universal building blocks are synthesized via two independent pathways: the mevalonate …

The non-mevalonate pathway of isoprenoid (terpenoid) biosynthesis is essential in many
eubacteria including the major human pathogen, Mycobacterium tuberculosis, in …

The proper filling of apolar pockets at enzyme active sites is central for increasing binding
activity and selectivity of hits and leads in medicinal chemistry. In our structure-based design …

Discovery of novel antibiotics needs multidisciplinary approaches to gain target enzyme and
bacterial activities while aiming for selectivity over mammalian cells. Here, we report a …

Apicomplexan parasites infectious to humans include Plasmodium spp., Babesia spp.,
Toxoplasma gondii, Cryptosporidium spp., Isospora belli and Cyclospora cayetanensis. With …

Tuberculosis (TB) is still a major public health problem, compounded by the human
immunodeficiency virus (HIV)-TB co-infection and recent emergence of multidrug-resistant …