Department of Botany, Division of Science and Technology, University of Education, Lahore, Pakistan.
Sciences and Research, College of Nursing, Umm Al Qura University, Saudi Arabia.
Biomed Res Int. 2022 May 23;2022:5367125. doi: 10.1155/2022/5367125. eCollection 2022.
The renin-angiotensin system (RAS) is involved in body fluid regulation, but one of its enzymes, angiotensin-converting enzyme (ACE), indirectly causes hypertension by constricting blood vessels. Autoimmune illness is linked to the increased risk of hypertension and cardiovascular disease. In this study, ACE-inhibiting peptides were studied from proteins. hydrolysis of proteins was performed by BIOPEP-UWM using proteolytic enzymes from plant, microbial, and digestive sources. The physicochemical properties of 1160 peptides were determined using the peptide package of R studio. Di- and tripeptides were mostly released with a molecular weight of 170 to 350 Da. PeptideRanker was used to select 16 peptides from a pool of 1160 peptides based on their likelihood of being bioactive. Molecular docking was performed by DS 2020 and AutoDock Vina, which revealed that the stability of the ligand-receptor complex is due to hydrogen bonding and electrostatic and hydrophobic interactions. Their binding energies ranged from -31.81 to -20.09 kJ/mol. For drug-likeness evaluation, an online tool SwissADME was used that follows the ADME rule (absorption, distribution, metabolism, and excretion) to check the pharmacokinetics and drug-likeness of the compound. In the future, the released peptides can be used to make functional nutraceutical foods against hypertension.
肾素-血管紧张素系统（RAS）参与体液调节，但其中一种酶——血管紧张素转换酶（ACE）通过收缩血管间接导致高血压。自身免疫性疾病与高血压和心血管疾病风险增加有关。在这项研究中，从蛋白质中研究了 ACE 抑制肽。使用来自植物、微生物和消化源的蛋白酶对蛋白质进行水解。使用 R studio 的肽包确定了 1160 条肽的物理化学性质。二肽和三肽主要以 170 至 350 Da 的分子量释放。PeptideRanker 用于从 1160 条肽中选择 16 条肽，根据其生物活性的可能性进行选择。通过 DS 2020 和 AutoDock Vina 进行分子对接，结果表明配体-受体复合物的稳定性是由于氢键和静电相互作用和疏水相互作用。它们的结合能范围为-31.81 至-20.09 kJ/mol。对于药物相似性评估，使用在线工具 SwissADME 遵循 ADME 规则（吸收、分布、代谢和排泄）来检查化合物的药代动力学和药物相似性。在未来，释放的肽可用于制造针对高血压的功能性营养食品。
