In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitors

@article{Kayk2017InSD,
  title={In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitors},
  author={G{\"u}lru Kayık and Nurcan Ş T{\"u}z{\"u}n and Serdar Durdağı},
  journal={Journal of Biomolecular Structure and Dynamics},
  year={2017},
  volume={35},
  pages={2830 - 2852}
}
Cyclic nucleotide phosphodiesterase enzymes (PDEs) have functions in regulating the levels of intracellular second messengers, 3′, 5′-cyclic adenosine monophosphate (cAMP) and 3′, 5′-cyclic guanosine monophosphate (cGMP), via hydrolysis and decomposing mechanisms in cells. They take essential roles in modulating various cellular activities such as memory and smooth muscle functions. PDE type 5 (PDE5) inhibitors enhance the vasodilatory effects of cGMP in the corpus cavernosum and they are used… Expand
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The three-dimensional structures of the catalytic domain of human PDE5 complexed with the three drug molecules sildenafil, tadalafil (Cialis) and vardenafils (Levitra) are presented to provide opportunities to design potent and selective PDE inhibitors with improved pharmacological profiles. Expand
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