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Pregled bibliografske jedinice broj: 758364

Exploring antiproliferative activity of heteroaromatic amides and their fused derivatives using 3D-QSAR, synthesis and biological tests


Sović, Irena; Viskić, Marko; Bertoša, Branimir; Ester, Katja; Kralj, Marijeta; Hranjec, Marijana; Karminski-Zamola, Grace
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:
098-0982464-2514 - Uloga različitih mehanizama odgovora stanica na terapiju oštećenjem DNA (Kralj, Marijeta, MZOS ) ( POIROT)
125-0982464-1356 - Novi heterocikli kao antitumorski i antivirusni (pametni) lijekovi (Hranjec, Marijana, MZOS ) ( POIROT)
HRZZ-IP-2013-11-5596 - SINTEZA I CITOSTATSKA ISPITIVANJA BIBLIOTEKE NOVIH DUŠIKOVIH HETEROCIKLA (SCIENcENTRY) (Raić-Malić, Silvana, HRZZ - 2013-11) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb,
Fakultet kemijskog inženjerstva i tehnologije, Zagreb

Citiraj ovu publikaciju

Sović, Irena; Viskić, Marko; Bertoša, Branimir; Ester, Katja; Kralj, Marijeta; Hranjec, Marijana; Karminski-Zamola, Grace
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)
Sović, I., Viskić, M., Bertoša, B., Ester, K., Kralj, M., Hranjec, M. & Karminski-Zamola, G. (2015) Exploring antiproliferative activity of heteroaromatic amides and their fused derivatives using 3D-QSAR, synthesis and biological tests. Monatshefte für Chemie, 146 (9), 1503-1517 doi:10.1007/s00706-015-1478-8.
@article{article, year = {2015}, pages = {1503-1517}, DOI = {10.1007/s00706-015-1478-8}, keywords = {Antitumor agents, Heterocycles, Structure-activity relationships, QSAR}, journal = {Monatshefte f\"{u}r Chemie}, doi = {10.1007/s00706-015-1478-8}, volume = {146}, number = {9}, issn = {0026-9247}, title = {Exploring antiproliferative activity of heteroaromatic amides and their fused derivatives using 3D-QSAR, synthesis and biological tests}, keyword = {Antitumor agents, Heterocycles, Structure-activity relationships, QSAR} }
@article{article, year = {2015}, pages = {1503-1517}, DOI = {10.1007/s00706-015-1478-8}, keywords = {Antitumor agents, Heterocycles, Structure-activity relationships, QSAR}, journal = {Monatshefte f\"{u}r Chemie}, doi = {10.1007/s00706-015-1478-8}, volume = {146}, number = {9}, issn = {0026-9247}, title = {Exploring antiproliferative activity of heteroaromatic amides and their fused derivatives using 3D-QSAR, synthesis and biological tests}, keyword = {Antitumor agents, Heterocycles, Structure-activity relationships, QSAR} }

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


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