Computational and in vitro binding studies of theophylline against phosphodiesterases functioning in sperm in presence and absence of pentoxifylline

Fertility is a result of a synergy among the sperm's various functions including capacitation, motility, chemotaxis, acrosome reaction, and, finally, the fertilization of the oocyte. Subpar motility is the most common cause of infertility in males. Cyclic adenosine monophosphate (cAMP) signalli...

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Veröffentlicht in:	Biophysical chemistry 2024-10, Vol.313, p.107294, Article 107294
Hauptverfasser:	Raj, Gupta, Nitin, Kulhar, Abhishek, Suman, Dey, Sreenath, Rajakumara, Eerappa
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding Sites Humans Isothermal titration calorimetry Male Male infertility Molecular Docking Simulation Molecular dynamics Molecular Dynamics Simulation PDEs Pentoxifylline - chemistry Pentoxifylline - metabolism Pentoxifylline - pharmacology Phosphodiesterase Inhibitors - chemistry Phosphodiesterase Inhibitors - metabolism Phosphodiesterase Inhibitors - pharmacology Phosphoric Diester Hydrolases - chemistry Phosphoric Diester Hydrolases - metabolism Sperm phosphodiesterase inhibitor Spermatozoa - drug effects Spermatozoa - metabolism Theophylline - chemistry Theophylline - metabolism Theophylline - pharmacology
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