Molecular Docking of Bufadienolides in Bryophyllum pinnatum as Potential Alternatives to Digoxin: inhibiting the Na/K ATPase Pump in Cardiac Cells for Heart Failure.

Heart failure is a medical condition characterized by the heart's inability to pump enough blood to meet the body's needs, resulting in fatigue, shortness of breath, and fluid retention. Digoxin, a commonly prescribed medication for heart failure, improves heart function by inhibiting the Na/K ATPase pump in cardiac cells, increasing intracellular calcium levels and enhancing myocardial contractility. However, the narrow therapeutic index of digoxin poses a significant challenge, necessitating careful monitoring of blood levels to prevent toxicity. Moreover, digoxin's potential drug interactions can result in adverse effects and reduced effectiveness. As an alternative, bufadienolides derived from plants like Bryophyllum pinnatum have emerged as promising cardiac glycosides. In a comparative study using molecular docking and pharmacokinetic profiling, bufadienolides demonstrated favourable binding interactions with the sodium-potassium ATPase pump, similar to digoxin. Furthermore, pharmacokinetic profiling indicated a wider therapeutic index for bufadienolides, suggesting a lower risk of toxicity compared to digoxin. These findings highlight the potential of bufadienolides as alternative treatments for heart failure.

Keywords: Bufadienolides, Bryophyllum pinnatum, cardiac glycosides, molecular docking, ATPase pump.