In silico analysis of angiotensin-converting enzyme inhibitory compounds obtained from soybean [Glycine max (L.) Merr.]

Abstract

Cardiovascular diseases (CVDs) are one of the major reasons for deaths globally. The renin–angiotensin–aldosterone system (RAAS) regulates body hypertension and fluid balance which causes CVD. Angiotensin-converting enzyme I (ACE I) is the central Zn-metallopeptidase component of the RAAS playing a crucial role in maintaining homeostasis of the cardiovascular system. The available drugs to treat CVD have many side effects, and thus, there is a need to explore phytocompounds and peptides to be utilized as alternative therapies. Soybean is a unique legume cum oilseed crop with an enriched source of proteins. Soybean extracts serve as a primary ingredient in many drug formulations against diabetes, obesity, and spinal cord-related disorders. Soy proteins and their products act against ACE I which may provide a new scope for the identification of potential scaffolds that can help in the design of safer and natural cardiovascular therapies. In this study, the molecular basis for selective inhibition of 34 soy phytomolecules (especially of beta-sitosterol, soyasaponin I, soyasaponin II, soyasaponin II methyl ester, dehydrosoyasaponin I, and phytic acid) was evaluated using in silico molecular docking approaches and dynamic simulations. Our results indicate that amongst the compounds, beta-sitosterol exhibited a potential inhibitory action against ACE I.

Functional and Bioactive Properties of Wheat Protein Fractions: Impact of Digestive Enzymes on Antioxidant, α-Amylase, and Angiotensin-Converting Enzyme Inhibition Potential

“…These novel findings advance the understanding of the multiple biological activities associated with WF proteins. In particular, the globulins, prolamins, glutelins-1, WF and their TC hydrolysates showed a high capacity to inhibit both ACE and α-amylase, which may be attributed to the presence of inhibitory peptides and other phytochemicals, notably phenolic compounds, as suggested by studies of soybeans and other plant-based proteins [ 42 , 43 , 44 ]. These compounds could either bind to the enzyme active sites, or chelate the zinc ion or calcium and chloride ions (cofactors) which are essential to the catalytic activity of ACE [ 45 ] and α-amylase [ 46 ], respectively.…”

Identification of angiotensin‐converting enzyme inhibitory peptides from peanut meal (Arachis hypogaea Linn) fermented by Lactobacillus pentosus using MALDI‐TOF–MS and LC–MS/MS

“…They typically comprise 2-20 amino acid residues. ACEIPs can prevent the formation of angiotensin II and promote the production of bradykinin and enkephalin by binding to ACE, thus exhibiting antihypertensive effects (Grden & Jakubczyk, 2023;Ramlal et al, 2023;Ren, 2021). Some researchers suggest that ACEIPs derived from food sources can potentially serve as alternative therapies for patients with hypertension or related disorders (Chang et al, 2023;Kralova et al, 2023;Yang et al, 2023).…”

Image-based phenotyping of seed architectural traits and prediction of seed weight using machine learning models in soybean

“…Soybean harbors a wide variety of compounds with therapeutic roles, such as storage proteins used to treat hypocholesterolemia and chronic kidney diseases. In addition, trypsin inhibitors and lectins have anti-cancer properties, and soy compounds and iso-flavonoids can act against angiotensin-converting enzymes along with other constituents and provide scope for crop improvement ( Medic et al., 2014 ; Ramlal et al., 2022a ; Ramlal et al., 2022b ; Ramlal et al., 2022c ; Ramlal et al., 2023a ). Soybean is a major legume consumed by both humans and livestock ( Rajendran et al., 2023 ).…”