Design and synthesis of two azete-phenylene-dibenzoic acid derivatives and theoretical evaluation of their interaction with BRCA-1 protein

Several compounds have been prepared to the treatment of breast cancer; however, some of these drugs may produce some adverse effects. The objective of this investigation carried out the synthesis of two azete-phenylene-dibenzoic acid derivatives (compounds 4 or 5) and analyze its theoretical interaction with the BRCA-1 protein surface. The preparation of 4 and 5 was carried out using a series of reactions which involves; i) addition (2 + 2); ii) etherification and iii) formation of allylamino groups. Chemical structure of azete derivatives was carried out using elemental analysis and nuclear magnetic resonance spectra. The following stage involved the theoretical evaluation of the interaction of both compounds 7 or 8 with BRCA-1 protein surface using a docking model. The results showed that compound 4 could bound to the different type of aminoacid residues of BRCA-1 protein compared with 5. All these data indicate that both compounds could be an alternative therapy for treatment of breast cancer via BRCA-1 protein inhibition.