Molecular docking studies on some benzamide derivatives as topoisomerase inhibitors
Küçük Resim Yok
Tarih
2020
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
University of Ankara
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Objective: In order to examine the interactions of some benzamide derivatives, which are thought to exhibit anti-cancer activity, with human Topo I and II? enzymes at the molecular level, docking studies were carried out on these enzymes. Material and Method: In conducting the docking studies, the protein was selected from the protein data bank for Topo I (1K4T) and for Topo II? (5GWK). Doking was performed with the CDocker method using the Discovery studio 3.5 program, and the binding energies of benzamide derivatives to enzymes were calculated and their molecular interactions were revealed. Result and Discussion: As a result of the docking process on Topo I and II?, it was found that benzamide derivative compounds have higher affinity for Topo II? enzyme. For Topo I compounds 4N6, 5N5; for Topo IIa compounds 5N3, 5N7 have been identified as promising compounds in terms of anticancer activity. © 2020 University of Ankara. All rights reserved.
Açıklama
Anahtar Kelimeler
Anticancer; Benzamide; Docking; Topoisomerase I; Topoisomerase Iia, Amino Acid; Antineoplastic Agent; Benzamide Derivative; Camptothecin; Dna Topoisomerase Inhibitor; Etoposide; Hydroxyl Group; Antineoplastic Activity; Article; Controlled Study; Drug Protein Binding; Drug Synthesis; Hydrogen Bond; Molecular Docking; Molecular Interaction; Protein Data Bank
Kaynak
Ankara Universitesi Eczacilik Fakultesi Dergisi
WoS Q Değeri
Scopus Q Değeri
N/A
Cilt
44
Sayı
3
