@article { author = {Lauro, Figueroa-Valverde and Francisco, Diaz-Cedillo and Marcela, Rosas-Nexticapa and Virginia, Mateu-Armand and Elizabeth, Montano-Tapia and Lenin, Hau-Heredia and Maria, Lopez-Ramos and Elodia, García-Cervera and Eduardo, Pool-Gómez and Regina, Cauich-Carrillo and Alondra, Alfonso-Jimenez and Jhaira, Cabrera-Tuz}, title = {Design and synthesis of two steroid derivatives from 2-nitroestrone and theoretical evaluation of their interaction with BRCA-1}, journal = {Asian Journal of Green Chemistry}, volume = {3}, number = {2}, pages = {216-235}, year = {2019}, publisher = {Sami Publishing Company}, issn = {2588-5839}, eissn = {2588-4328}, doi = {10.22034/ajgc.2018.144189.1093}, 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.}, keywords = {Synthesis,Steroid,Derivatives,breast cancer,Docking}, url = {https://www.ajgreenchem.com/article_75619.html}, eprint = {https://www.ajgreenchem.com/article_75619_c61b2f3d2709aeb128a1a74306f910be.pdf} }