Single-crystal X-ray diffraction structures of organotin compounds bearing hemicarbonate and carbonate ligands were recently reviewed by us—“CO2 Derivatives Molecular Tin Compounds. Part 1: Hemicarbonato Carbonato Complexes”, Inorganics 2020, 8, 31—based on crystallographic data available from the Cambridge Structural Database. Interestingly, this first collection revealed that most listed isol...

The three galanin receptor subtypes (GalR1-3) belong to the G protein-coupled receptor superfamily. The widespread distribution of galanin and its receptors in the CNS and PNS and the numerous physiological and pharmacological effects of galanin (for review, cf. Vrontakis, 2002) render the three galanin receptors attractive drug targets. The industrial efforts, however, have not yet resulted in...

Computer-aided drug design is a signiicant component of the rational approach to pharmaceutical drug design. Chemists now consider the geometric and chemical characteristics of molecules early in the design process in an eeort to quickly identify ligands that have good chances of becoming potent pharmaceutical drugs. Computer assistance is not only helpful but also necessary to narrow down the ...

Coot is a molecular-graphics application primarily aimed to assist in model building and validation of biological macromolecules. Recently, tools have been added to work with small molecules. The newly incorporated tools for the manipulation and validation of ligands include interaction with PRODRG, subgraph isomorphism-based tools, representation of ligand chemistry, ligand fitting and analysi...

Approximately 65% of PSI structures report some type of ligand(s) that is bound in the crystal structure. Here, a description is given of how such ligands are handled and analyzed at the JCSG and a survey of the types, variety and frequency of ligands that are observed in the PSI structures is also compiled and analyzed, including illustrations of how these bound ligands have provided functiona...

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Neuroreceptor imaging is a promising area of brain imaging used to investigate various neurodegenerative and neuropsychiatric disorders. In the research setting, radiopharmaceuticals targeted to specific areas of the brain are used along with SPECT to assess and analyze functional mechanisms within brain structures. Utilization of the data that are collected from these studies may aid in the de...