VSE knjižnice (vzajemna bibliografsko-kataložna baza podatkov COBIB.SI)
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In silico discovery of novel purine-based DNA topoisomerase II [alpha] inhibitors as potential anticancer agentsPogorelčnik, Barbara, 1985- ...DNA topoisomerases are an important family of enzymes that catalyze the induction of topological changes (e.g., relaxation/supercoiling, catenation/decatenation, and knotting/unknotting) of DNA. ... These enzymes perform their function by creating transient double-stranded breaks in the DNA molecule. Given their role in topological changes, topoisomerases represent key targets for the development of novel anticancer agents. human topoisomerase II\alpha is a homodimer that consists of three domains and bears close homology with its bacterial counterpart, DNA gyrase. Topoisomerase II targeting agents generally fall into two large groups that differ in their mechanism of action. The first group- poisons-stabilize the covalent cleavable complex and convert this enzyme into a cellular toxin that is lethal to normal cells. The second group includes catalytic inhibitors that act at different stages of the catalytic cycle. The aim of our research was to identify novel inhibitors that act by interferingwith the catalytic cycle of human topoisomerase II\alpha by blocking ATP binding. Based on the available structural information for topoisomerase II\alpha an in silico virtual screening campaign was designed combining molecular docking calculations with three- dimensional structure-based pharmacophore models. A novel class of purine-based inhibitors with micromolar activity was discovered. The binding of these compounds was subsequently investigated extensively by powerful surface plasmon resonance (SPR) technique.Vir: Book of abstracts (Str. 210-211)Vrsta gradiva - prispevek na konferenciLeto - 2012Jezik - angleškiCOBISS.SI-ID - 5111578
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Leto | Faktor vpliva | Izdaja | Kategorija | Razvrstitev | ||||
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JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Baze podatkov, v katerih je revija indeksirana
Ime baze podatkov | Področje | Leto |
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Povezave do osebnih bibliografij avtorjev | Povezave do podatkov o raziskovalcih v sistemu SICRIS |
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Pogorelčnik, Barbara, 1985- | 33211 |
Perdih, Andrej, farmacevt | 25493 |
Brvar, Matjaž | 29677 |
Šolmajer, Tomaž | 01661 |
Vir: Osebne bibliografije
in: SICRIS
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