Pregled bibliografske jedinice broj: 758364
Exploring antiproliferative activity of heteroaromatic amides and their fused derivatives using 3D-QSAR, synthesis and biological tests
Exploring antiproliferative activity of heteroaromatic amides and their fused derivatives using 3D-QSAR, synthesis and biological tests // Monatshefte für Chemie, 146 (2015), 9; 1503-1517 doi:10.1007/s00706-015-1478-8 (međunarodna recenzija, članak, znanstveni)
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Naslov
Exploring antiproliferative activity of heteroaromatic amides and their fused derivatives using 3D-QSAR, synthesis and biological tests
Autori
Sović, Irena ; Viskić, Marko ; Bertoša, Branimir ; Ester, Katja ; Kralj, Marijeta ; Hranjec, Marijana ; Karminski-Zamola, Grace
Izvornik
Monatshefte für Chemie (0026-9247) 146
(2015), 9;
1503-1517
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
antitumor agents ; heterocycles ; structure-activity relationships ; QSAR
Sažetak
In this manuscript the synthesis, antiproliferative activity and 3D-QSAR study of novel heteroaromatic benzamides and their cyclic products, quinolones and naphthiridones were described. The in vitro antiproliferative screening on three tumor cell lines showed in general moderate antiproliferative effect, except 2-benzimidazolyl and 2-benzothiazolyl substituted heteroaromatic amides 11b, 11c, 11d, 11g and 11h, which showed prominent antiproliferative effect with GI50 concentration at micromolar range. Cyclic quinolones and naphthiridones demonstrated similar activity as their acyclic precursors. Using measured anticancer activities, 3D-QSAR models were obtained. Their prediction abilities were tested by internal and external prediction. Molecular properties with the highest positive or negative influence on compound’s anticancer activities have been identified. It was found that possibility of compound to accept H-bond (WN1), sum of hydrophobic surface areas (HSA), possibility of weak hydrophobic interactions (D1) and complete molecular surface of compound (S) should be increased, while possibility of weak hydrophilic interactions (W1) should be decreased in order to enhance anticancer activity of investigated compounds.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
MZOS-098-0982464-2514 - Uloga različitih mehanizama odgovora stanica na terapiju oštećenjem DNA (Kralj, Marijeta, MZOS ) ( CroRIS)
MZOS-125-0982464-1356 - Novi heterocikli kao antitumorski i antivirusni (pametni) lijekovi (Hranjec, Marijana, MZOS ) ( CroRIS)
HRZZ-IP-2013-11-5596 - Sinteza i citostatska ispitivanja biblioteke novih dušikovih heterocikla (SCIENcENTRY) (Raić-Malić, Silvana, HRZZ - 2013-11) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb,
Fakultet kemijskog inženjerstva i tehnologije, Zagreb
Profili:
Grace Karminski-Zamola
(autor)
Branimir Bertoša
(autor)
Marijeta Kralj
(autor)
Katja Ester
(autor)
Marko Viskić
(autor)
Irena Sović
(autor)
Marijana Hranjec
(autor)
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
Uključenost u ostale bibliografske baze podataka::
- CA Search (Chemical Abstracts)