Water-Tryptophan Interactions: Lone-pair⋅⋅⋅π or O−H⋅⋅⋅π? Molecular Dynamics Simulations of β-Galactosidase Suggest that Both Modes Can Co-exist

Autor: Jiří Kozelka, Matúš Durec, Radek Marek

Publikováno v: Chemistry - A European Journal. 24:5849-5859

In proteins, the indole side chain of tryptophan can interact with water molecules either in-plane, forming hydrogen bonds, or out-of-plane, with the water molecule contacting the aromatic π face. The latter interaction can be either of the lone pai

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6994c52419c952c3351fda5bcd55b823
https://doi.org/10.1002/chem.201705364

Modified Guanines as Constituents of Smart Ligands for Nucleic Acid Quadruplexes

Autor: Radek Marek, Francesco Zaccaria, Matúš Durec, Célia Fonseca Guerra

Publikováno v: Durec, M, Zaccaria, F, Fonseca Guerra, C & Marek, R 2016, ' Modified Guanines as Constituents of Smart Ligands for Nucleic Acid Quadruplexes ', Chemistry: A European Journal, vol. 22, no. 31, pp. 10912-10922 . https://doi.org/10.1002/chem.201601608
Chemistry: A European Journal, 22(31), 10912-10922. Wiley-VCH Verlag

Repetitive guanine-rich nucleic acid sequences play a crucial role in maintaining genome stability and the cell life cycle and represent potential targets for regulatory drugs. Recently, it has been demonstrated that guanine-based ligands with a porp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::716f8d55900245031f8dde9f2c20647d
https://pubmed.ncbi.nlm.nih.gov/27385491