Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis

Bicyclic-guanidines, -guanidinates and -guanidinium salts: wide ranging applications from a simple family of molecules.

Bicyclic guanidines have physical, electronic and chemical properties that differentiate them from their acyclic counterparts, with many of these characteristics directly imposed by the rigid framework. These distinctive features have led to this class of molecule finding practical applications in many areas of chemistry, including organocatalysis and as ligands in coordination compounds. In ad...

Synthesis of Bicyclic Guanidines via Cascade Hydroamination/Michael Additions of Mono-N-acryloylpropargylguanidines

A cascade silver(I)-catalyzed hydroamination/Michael addition sequence has been developed to deliver highly substituted bicyclic guanidines. This transformation gives rise to geometrically and constitutionally stable ene-guanidines and generates a remote stereocenter with moderate to high diastereoselectivity.

Direct synthesis of bicyclic guanidines through unprecedented palladium(ii) catalysed diamination with copper chloride as oxidant.

Palladium catalysed intramolecular guanidine transfer to alkenes can be accomplished with copper chloride as the oxidant to give bicyclic guanidines with complete selectivity and in high yields.

Analysis of protein sequence/structure similarity relationships.

Current analyses of protein sequence/structure relationships have focused on expected similarity relationships for structurally similar proteins. To survey and explore the basis of these relationships, we present a general sequence/structure map that covers all combinations of similarity/dissimilarity relationships and provide novel energetic analyses of these relationships. To aid our analysis...

Similarity Matrices Quantitative Structure–Activity Relationships for Anticonvulsant Phenylacetanilides