Inhibitory potency of Valsartan/Sacubitril drug combination: Molecular docking simulations

Abstract

Heart failure (HF) is a condition that affects mostly older populations. It can be treated with different medications, and one of them is Entresto. This is a medication which is consisting of two drugs, sacubitril (SAC) and valsartan (VAL). Here, in this study, are performed molecular docking simulations in order to examine the inhibitory potency of SAC and VAL towards neprilysin (NEP) and angiotensin II receptor (AT2), respectively. The achieved thermodynamic parameters shows that SAC and VAL can bind to targeted protein, and inhibit NEP and AT2. The best binding sites are determined. Also, the amino acids responsible for binding are identified.