0000000001306135

AUTHOR

Martin Novák

Anion Recognition by a Bioactive Diureidodecalin Anionophore: Solid-State, Solution, and Computational Studies

Recent work has identified a bis-(p-nitrophenyl)ureidodecalin anion carrier as a promising candidate for biomedical applications, showing good activity for chloride transport in cells yet almost no cytotoxicity. To underpin further development of this and related compounds, a detailed structural and binding investigation is reported. Crystal structures of the transporter as five solvates confirm the diaxial positioning of urea groups while revealing a degree of conformational flexibility. Structures of complexes with Cl−, Br−, NO3 −, SO4 2− and AcO−, supported by computational studies, show how the binding site can adapt to accommodate these anions. 1H NMR binding studies revealed exception…

research product

CCDC 1818063: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1817835: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1817833: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1817831: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1817830: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1817834: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1817832: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1586249: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product

CCDC 1586251: Experimental Crystal Structure Determination

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

research product