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NUKLEARNA MAGNETSKA REZONANCIJA I PRORAČUNI BIOORGANSKIH MOLEKULA



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NUKLEARNA MAGNETSKA REZONANCIJA I PRORAČUNI BIOORGANSKIH MOLEKULA

NUCLEAR MAGNETIC RESONANCE AND CALCULATIONS OF BIOORGANIC MOLECULES
Voditelj projekta: dr. sc. Dražen Vikić-Topić

Tel. ++385 1 4560 961   e-mail: vikic@irb.hr



Suradnici
Paško Konjevoda, magistar med. znanosti, znanstveni novak u suradničkom zvanju asistenta (od 8.4.2005.)
Željko Marinić, magistar kem. znanosti, stručni suradnik
Dejan Plavšić, doktor kem. znanosti, znanstveni savjetnik od 21.7.2005. (na projektu od 21.7.2005.)
Vilko Smrečki, doktor kem. znanosti, znanstveni suradnik
Dražen Vikić-Topić, doktor kem. znanosti, znanstveni savjetnik (mirovanje radnog odnosa)
Kristina Wolšperger, magistrica kem. znanosti, stručna suradnica

Tehnički suradnici
Boris Sokač

Program rada i rezultati na projektu:

Pripremljen je niz bioorganskih molekula (fluorokinolonski antibiotici, gentisamidi, sulfonilcitozinski derivati, Schiffove baze fenilnaftildiimina, salicilidenanilina, pirolidon-hidroksamske kiseline, njihovi izotopomeri s deuterijem, te njihovi kompleksi s raznim metalima) za koje je poznato da imaju farmakološko djelovanje. Struktura molekula u otopinama utvrđena je pomoću spektroskopije NMR, dok je spojevima u čvrstom stanju kristalna i molekulska struktura određena pomoću rendgenske difrakcijske analize. Isto tako pripremljeni su kratki aktivni peptidi s pet, sedam i trinaest aminokiselina, te njihovi komplementari radi proučavanja "sens-antisens" interakcija, kao i interakcija sa spomenutim bioorganskim molekulama pomoću metoda NMR i MS, te računskim metodama i modeliranjem. Provedeno je istraživanje citoprotektivnih učinaka kratkih peptida, pri čemu je potvrđena njihova farmakološka aktivnost i potencijalna primjena u liječenju inflamatornih i imunološki posredovanih bolesti. U tijeku je potvrđivanje pretpostavke da su "sens-antisens" interakcije odgovorne za farmakološko djelovanje malih fragmenata peptida.

Rezultati istraživanja na projektu objavljeni su u 7 znanstvenih radova u CC časopisima, 1 stručnom radu u CC časopisu, dok je za 4 znanstvena rada u CC časopisima postupak objavljivanja u tijeku (od toga su 2 rada već prihvaćena za objavljivanje). Suradnici na projektu održali su 1 pozvano predavanje na međunarodnom inozemnom znanstvenom skupu, te prikazali rezultate istraživanja putem 11 postera ili usmenih priopćenja na 7 međunarodnih znanstvenih skupova. U okviru projekta dovršen je 1 diplomski i 1 magistarski rad.

Research programme and results:

A series of bioorganic molecules (fluoroquinolone antibiotics, gentisamides, sulphonylcytosine derivatives, Schiff bases of phenylnaphtyldiimines, salicylideneanilines, pyrolidon-hydroxam acids, their deuterium labelled isotopomers and their metal complexes) showing pharmacological activity have been prepared. Molecular structures in solutions have been determined by NMR spectroscopy, while for compounds in solid state by X-ray crystallographic analysis. Short active peptides containing five, six and thirteen aminoacids have also been prepared, in order to study their interactions to earlier mentioned bioorganic molecules and "sense-antisense" interactions using methods of NMR spectroscopy and mass spectrometry, as well as chemical calculation and modelling. The investigation of cytoprotective effects of short peptide fragments have been performed, that corroborated their pharmacological activity and potential application in treatment of inflammatory and immunologically mediated diseases. A confirmation of the assumption that "sense-antisense" interactions are responsible for pharmacological function of short peptide fragments, is in progress.



The results of the project investigation are published in 7 scientific papers in journals indexed in Current Contents (CC), 1 professional paper in CC journal, while 4 scientific papers are submitted to CC journals (two of them already accepted for publication). Project collaborators have held one invited lecture at international scientific conference and have presented their results by 11 posters or oral contributions at 7 international scientific conferences. One master of science and one diploma work have been completed in the framework of the project.



PRILOZI
Znanstveni i pregledni radovi objavljeni u časopisima koji su indeksirani u Current Contents-u


1.

Diudea, M.V.; Nagy, C.L.; Silaghi-Dumitrescu, I.; Graovac, Ante; Janežić, D.; Vikić-Topić, Dražen. Periodic cages. // Journal of chemical information and modeling. 45 (2005),2; 293-299.

2.

Jerković, Igor; Mastelić, Josip; Blažević, Ivica; Šindler-Kulyk, Marija; Vikić-Topić, Dražen. Characterization of acetylated O-glucofuranosides: direct glucosylation of volatile alcohols from unprotected glucose. // Croatica chemica acta. 78 (2005); 313-318.

3.

Kašnar-Šamprec, Jelena; Glavaš-Obrovac, Ljubica; Pavlak, Marina; Mihaljević, Ivica; Mrljak, Vladimir; Štambuk, Nikola; Konjevoda, Paško; Žinić, Biserka. Synthesis, spectroscopic characterization and biological activity of N-1-sulfonylcytosine derivatives. // Croatica chemica acta. 78 (2005), 2; 261-267.

4.

Pavan, Josip; Štambuk, Nikola; Ćurković, Tihomir; Konjevoda, Paško; Pavan-Jukić, Doroteja; Gotovac, Marta; Karaman, Ksenija. Effectiveness of latanoprost (Xalatan TM) monotherapy in newly discovered and previously medicamentously treated primary open angle glaucoma patients. // Collegium antropologicum. 29 (2005), 1; 315-319.

5.

Plavšić, Dejan; Vukičević, Damir; Randić, Milan. On canonical numbering of carbon atoms in fullerenes: C60 buckminsterfullerene. // Croatica chemica acta. 78 (2005), 4; 493-502.

6.

Randić, Milan; Lerš, Nella; Plavšić, Dejan; Basak, Subhash C.; Balaban, Alexandru T. Four-color map representation of DNA or RNA sequences and their numerical characterization. // Chemical physics letters. 407 (2005), 1-3; 205-208.

7.

Randić, Milan; Lerš, Nella; Vukičević, Damir; Plavšić, Dejan; Basak, Subhash; Gute, Brian. Canonical labeling of proteome maps. // Journal of proteome research. 4 (2005), 4; 1347-1352.

8.

Steindl, Christian; Schäffer, Christina; Smrečki, Vilko; Messner, Paul; Müller Norbert. The secondary cell wall polymer of Geobacillus tepidamans GS5-97(T): structure of different glycoforms. // Carbohydrate research. 340 (2005), 14; 2290-2296.

9.

Sychrovsky, Vladimir; Mueller, Norbert; Schneider, Bohdan; Smrečki, Vilko; Špirko, Vladimir; Šponer, Jiri; Trantirek, Lukaš. Sugar pucker modulates the cross-correlated relaxation rates across the glycosidic bond in DNA. // Journal of the American Chemical Society. 127 (2005), 42; 14663-14667.

10.

Škorić, Irena; Basarić, Nikola; Marinić, Željko; Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Šindler-Kulyk, Marija. Synthesis and photochemistry of b, b'-di(2-furyl) substituted o-divinylbenzenes. Intra- and/or intermolecular cycloaddition as an effect of annelation. // Chemistry : a European journal. 11 (2005), 2; 543-551.

11.

Šoškić, Milan; Plavšić, Dejan. Modeling the octanol-water partition coefficients by an optimized molecular connectivity index. // Journal of chemical information and modeling. 45 (2005), 4; 930-938.

12.

Štambuk, Nikola; Konjevoda, Paško; Boban-Blagaić, Alenka; Pokrić, Biserka. Molecular Recognition Theory of the complementary (antisense) peptide interactions. // Theory in biosciences. 123 (2005), 4; 265-275.

13.

Tješić Drinković, Duška; Tješić Drinković, Dorian; Štambuk, Nikola; Konjevoda, Paško; Votava Raić, Ana; Vinković, Marijana; Vikić-Topić, Dražen. Alpha-melanocyte stimulating hormone reduces colonic damage in rat model of inflammatory bowel disease. // Croatica chemica acta. 78 (2005), 4; 535-539.

14.

Tješić-Drinković, Dorian; Štambuk, Nikola; Tješić-Drinković, Duška; Konjevoda, Paško; Gotovac, Nikola; Ćurković, Tihomir; Votava-Raić, Ana. Met-enkephalin effects on histamine-induced bronchoconstriction in guinea pigs. // Collegium antropologicum. 29 (2005), 2; 689-692.



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