TY  - JOUR
T1  - Theoretical Evaluation of Furanone and its Derivatives for the Treatment of Cancer Through Eag-1 Inhibition
A1  - Magdalena Alvarez-Ramirez
A1  - Lauro Figueroa-Valverde
A1  - Francisco Diaz-Cedillo
A1  - Marcela Rosas-Nexticapa
A1  - Maria Lopez-Ramos
A1  - Virginia Mateu-Armand
A1  - Lopez-Gutierrez Tomas
JF  - Clinical Cancer Investigation Journal
JO  - Clin Cancer Investig J
SN  - 2278-0513
Y1  - 2023
VL  - 12
IS  - 4
DO  - 10.51847/iVIQzRP5Lt
SP  - 4
EP  - 9
N2  - Several studies suggest that some drugs such as astemizole and tetrandine can inhibit the expression of Eag-1 in cancer cells. Analyzing these data, this study aimed to evaluate the theoretical interaction of furanone (compound 1) and its derivatives (compounds 2 to 30) with Eag-1 using the 7CN1 protein as a theoretical model; in addition, astemizole, tetrandine, N-(4-(2-(Diethylamino)ethoxy)phenyl)-2-nitro-4-(trifluoromethyl)-aniline (DNTA), 1-Dimethylamino-3-[4-(2-nitro-4-trifluoromethyl-phenyl-amino)-phenoxy]-propan-2-ol (ZVS-08), and 3-Chloro-N-{2-[3,5-dibromo-4-(3-di-methyl-amino-propoxy)-phenyl]-ethyl}-4-metho-xy-benzamide (PD) were used as controls in the DockingServer software. Results showed that interaction of compounds 1-30, DNTA, ZVS-08, and PD with 7CN1 protein surface involves different aminoacid residues. Besides, inhibition constant was lower for furanone derivatives 7, 12, 16, 20, 25, 26, 29, and 30 compared to astemizole, tetrandine, DNTA, ZVS-08, and PD. These data suggest that furanone derivatives 7, 12, 16, 20, 25, 26, 29, and 30 could act as Eag-1 inhibitors in cancer cells. Therefore, these furenone derivatives could be good candidates for the treatment of cancer.
UR  - https://ccij-online.org/article/theoretical-evaluation-of-furanone-and-its-derivatives-for-the-treatment-of-cancer-through-eag-1-inh-u5d2t138l3ocon5
ER  -