Document Type: Original Research Article

Authors

1 Laboratory of Pharmaco-Chemistry at the Faculty of Chemical Biological Sciences of the University Autonomous of Campeche, Av. Agustín Melgar s/n, Col Buenavista C.P.24039 Campeche Cam., México

2 Escuela Nacional de Ciencias Biológicas del Instituto Politécnico Nacional. Prol. Carpio y Plan de Ayala s/n Col. Santo Tomas, México, D.F. C.P. 11340

3 Facultad de Nutrición, Universidad Veracruzana. Médicos y Odontólogos s/n, 91010, Xalapa, Veracruz. México

Abstract

Several compounds have been prepared to treatment of breast cancer; however, some of these drugs may produce some side effects. The aim of this study is to synthesize two new steroid derivatives (Compounds 7 or 8) to evaluate their theoretical interaction with a breast cancer protein (BRCA-1) using a docking model. The preparation of 7 and 8 was carried out using a series of reactions which involves; (i) addition/cyclization; (ii) amination, (iii) etherification and (iv) esterification. Chemical structure of the compounds was confirmed using elemental analysis and NMR spectrum. The following stage involved the theoretical evaluation on the interaction of both compounds 7 or 8 with BRCA-1 protein surface using a docking model. The results showed that compound 7 could bound to different type of amino acid residues of BRCA-1 protein compared with 8; this phenomenon, may exert changes in the biological activity of BRCA-1 protein. All data suggest that compound 7 or 8 could be an alternative therapeutic for treatment of the breast cancer.

Graphical Abstract

Keywords

Main Subjects

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How to cite this manuscript: Figueroa-Valverde Lauro*, Diaz-Cedillo Francisco, Rosas-Nexticapa Marcela*, Mateu-Armand Virginia, Montano-Tapia Elizabeth, Hau-Heredia Lenin, Lopez-Ramos Maria, García-Cervera Elodia, Pool-Gómez Eduardo, Cauich-Carrillo Regina, Alfonso-Jimenez Alondra, Cabrera-Tuz Jhair. Design and synthesis of two steroid derivatives from 2-nitroestrone and theoretical evaluation of their interaction with BRCA-1.Asian Journal of Green Chemistry, 3(2) 2019, 216-235. DOI: 10.22034/ajgc.2018.144189.1093