Ascertain of Antihypertensive Bioactive Compounds from Rosemary and Hawthorn; A Molecular Docking Study

Abstract

Blood pressure disorder causes serious diseases in the cardiovascular system such as arterial hypertension. According to the World Health Organization, an estimated 1.13 billion people worldwide have hypertension, and most of them (two-thirds) live in low- and middle-income countries. It is poorly controlled and constitutes one of the leading causes of premature death. In Africa, nearly 40% of adults in many countries have high blood pressure, but most wouldn't even know it. In 2019, Algeria announced that 24% of the population suffers from the arterial hypertension and around 72% of those who were tested positive had not received treatment. Among the processes related to hypertension, the angiotensin converting enzyme I (ACE) plays an important role in the regulation of the blood pressure. The talk about the high potential of the hawthorn and rosemary plants to treat hypertension was so spread in the Algerian culture, which prompted to study the molecules of these plants and descript they behavior with the angiotensin-converting enzyme by calculating energy affinity. Using molecular docking approach, identification and evaluation of the inhibitory potential of ACE by selected herbs was attempted. In addition, and in order  to identify the most suitable molecules which can be developed to oral drugs considering their adsorption, distribution, metabolism, and excretion (ADME), Lipinski’s rules were applied using free  SwissADME tool. Our study provides clearer insight interaction properties of known putative inhibitors of ACE such as Caffeic acid, Quercetin, Luteolin, Eugenol, Rosmaquinone, and Rosmaquinone β, which may be developed into drugs after in-vitro and in-vivo tests and also encourage use of medicinal herbs for treatment of arterial hypertension.