IOCB Most Significant Publications 2013

The most significant publications are selected annually by an external international panel of reviewers and the IOCB director.

The awarded publications are listed in their respective clusters alphabetically by title.

• Keough, D. T.; Špaček, P.; Hocková, D.; Tichý, T.; Vrbková, S.; Slavětínská, L.; Janeba, Z.; Naesens, L.; Edstein, M. D.; Chavchich, M.; Wang, T.-H.; de Jersey, J.; Guddat, L. W. Acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group Are Potent Inhibitors of 6-Oxopurine Phosphoribosyltransferases and Have Antimalarial Activity. J. Med. Chem. 2013, 56, 2513-2526. https://doi.org/10.1021/jm301893b
• Mucha, M.; Kaletová, E.; Kohutová, A.; Scholz, F.; Stensrud, E. S.; Stibor, I.; Pospíšil, L.; von Wrochem, F.; Michl, J. Alkylation of Gold Surface by Treatment with C18H37HgOTs and Anodic Hg Stripping. J. Am. Chem. Soc. 2013, 135, 5669-5677. https://doi.org/10.1021/ja3117125
• Brynda, J.; Mader, P.; Šícha, V.; Fábry, M.; Poncová, K.; Bakardiev, M.; Grüner, B.; Cígler, P.; Řezáčová, P. Carborane-based carbonic anhydrase inhibitors. Angew. Chem. Int. Ed. 2013, 52, 13760-13763. https://doi.org/10.1002/anie.201307583
• Selicharová, I.; Kořínek, M.; Demianová, Z.; Chrudinová, M.; Mládková, J.; Jiráček, J. Effects of hyperhomocysteinemia and betaine–homocysteine S-methyltransferase inhibition on hepatocyte metabolites and the proteome. Biochim. Biophys. Acta 2013, 1834, 1596-1606. https://doi.org/10.1016/j.bbapap.2013.05.009
• Sedlák, F.; Šácha, P.; Blechová, M.; rnezinová, A.; Šafařík, M.; Šebestík, J.; Konvalinka, J. Glutamate carboxypeptidase II does not process amyloid-β peptide. FASEB J. 2013, 27, 2626-2632. https://doi.org/10.1096/fj.12-225094
• Lagoutte, R.; Šebesta, P.; Jiroš, P.; Kalinová, B.; Jirošová, A.; Straka, J.; Černá, K.; Šobotník, J.; Cvačka, J.; Jahn, U. Total Synthesis, Proof of Absolute Configuration, and Biosynthetic Origin of Stylopsal, the First Isolated Sex Pheromone of Strepsiptera. Chem. Eur. J. 2013, 19, 8515-8524. https://doi.org/10.1002/chem.201204196
• Stirnemann, G.; Wernersson, E.; Jungwirth, P.; Laage, D. Mechanisms of Acceleration and Retardation of Water Dynamics by Ions. J. Am. Chem. Soc. 2013, 135, 11824-11831. https://doi.org/10.1021/ja405201s
• Kessler, J.; Dračínský, M.; Bouř, P. Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties. J. Comput. Chem. 2013, 34, 366-371. https://doi.org/10.1002/jcc.23143
• Kolář, M.; Hobza, P.; Bronowska, A. K. Plugging the explicit σ-holes in molecular docking. Chem. Commun. 2013, 49, 981-983. http://dx.doi.org/10.1039/C2CC37584B
• Gutten, O.; Rulíšek, L. Predicting the Stability Constants of Metal-Ion Complexes from First Principles. Inorg. Chem. 2013, 52, 10347-10355. https://doi.org/10.1021/ic401037x
• Fanfrlík, J.; Brahmkshatriya, P. S.; Řezáč, J.; Jílková, A.; Horn, M.; Mareš, M.; Hobza, P.; Lepšík, M. Quantum Mechanics-Based Scoring Rationalizes the Irreversible Inactivation of Parasitic Schistosoma mansoni Cysteine Peptidase by Vinyl Sulfone Inhibitors. J. Phys. Chem. B 2013, 117, 14973-14982. https://doi.org/10.1021/jp409604n
• Jančařík, A.; Rybáček, J.; Cocq, K.; Vacek Chocholoušová, J.; Vacek, J.; Pohl, R.; Bednárová, L.; Fiedler, P.; Císařová, I.; Stará, I. G.; Starý, I. Rapid Access to Dibenzohelicenes and their Functionalized Derivatives. Angew. Chem. Int. Ed. 2013, 52, 9970-9975. https://doi.org/10.1002/anie.201301739
• Vávra, J.; Severa, L.; Císařová, I.; Klepetářová, B.; Šaman, D.; Koval, D.; Kašička, V.; Teplý, F. Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene–Viologen Hybrid by Preferential Crystallization. J. Org. Chem. 2013, 78, 1329-1342. https://doi.org/10.1021/jo301615k
• Žáková, L.; Kletvíková, E.; Veverka, V.; Lepšík, M.; Watson, C. J.; Turkenburg, J. P.; Jiráček, J.; Brzozowski, A. M. Structural Integrity of the B24 Site in Human Insulin Is Important for Hormone Functionality*. J. Biol. Chem. 2013, 288, 10230-10240. https://doi.org/10.1074/jbc.M112.448050
• Dadová, J.; Orság, P.; Pohl, R.; Brázdová, M.; Fojta, M.; Hocek, M. Vinylsulfonamide and Acrylamide Modification of DNA for Cross-linking with Proteins. Angew. Chem. Int. Edit. 2013, 52, 10515-10518. https://doi.org/10.1002/anie.201303577