Molecular Dynamics-Assisted Discovery of Novel Phosphodiesterase-5 Inhibitors Targeting a Unique Allosteric Pocket

Molecular Dynamics-Assisted Discovery of Novel Phosphodiesterase-5 Inhibitors Targeting a Unique Allosteric Pocket

Phosphodiesterase-5 (PDE5) is a potent therapeutic target for the treatment of male erectile dysfunction and pulmonary arterial hypertension with several drugs available on the market. However, most of the reported PDE5 inhibitors lack specificity over PDE6, a holoenzyme in eleven PDE families, whic...

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Bibliographic Details
Main Authors: Weihao Luo, Runduo Liu, Xinlin Cai, Qian Zhou, Chen Zhang
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Molecules
Subjects:
phosphodiesterase-5
allosteric pocket
selectivity
molecular dynamics
Online Access:https://www.mdpi.com/1420-3049/30/3/588
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