Intramolecular interaction analysis of forty amine derivatives with phosphodiesterase 4D using a theoretical model
DOI:
https://doi.org/10.14295/bjs.v5i3.825Keywords:
amino derivatives, heart failure, phosphodiesteraseAbstract
Several drugs, such as zatolmilast, orismilast, lotamilast, and GSK256066 (phosphodiesterase inhibitors) have been used to treat chronic heart failure. However, some of these drugs can produce different secondary effects such as arrhythmia, nausea, and vomiting. In the search for a new therapeutic alternative to treat chronic heart failure, this study aimed to characterize the interaction of some amino derivatives (1-40) with phosphodiesterase 4D using the 3iak protein as a theoretical tool in the DockingServer program. Besides, zatolmilast, orismilast, lotamilast, and GSK256066 were used as controls. The results showed differences in the interaction of amino derivatives with the 3iak protein surface compared with zatolmilast, orismilast, lotamilast, and GSK256066. Other data indicate that the inhibition constant for amino derivatives 7, 12, 15, 18, and 33 was lower compared with the controls. All these data suggest that compounds 7, 12, 15, 18, and 33 could act as phosphodiesterase 4D inhibitors. These data suggest that amino derivatives of phosphodiesterase 4D could be a good therapeutic alternative to treat heart failure.
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