Abstract：
UNASSIGNED: Angiotensin-converting enzyme (ACE, EC 3.4.15.1) is a very important factor in the regulation of blood pressure. Also, the inhibition of ACE with natural compounds has been a very important research area in the treatment of high blood pressure. ACE was purified and characterized from sheep plasma. Molecular docking studies and the inhibition effect of thiamine, riboflavin, and captopril on ACE were investigated.
UNASSIGNED: Herein, ACE was purified from sheep plasma by affinity chromatography. The effect of thiamine and riboflavin on ACE was researched. Molecular docking studies were performed to understand the molecular interactions between thiamine, riboflavin, and captopril with ACE.
UNASSIGNED: The purification coefficient was found to be 8636 fold. The binding energy of thiamine, riboflavin, and captopril was found to be -6.7 kcal/mol, -8.1 kcal/mol, and -5.5 kcal/mol, respectively. Thiamine conformed to three conventional hydrogen bonds with ASP:415, HIS:513, and LYS:454. Riboflavin formed four conventional hydrogen bonds with GLN:281, GLU:376, THR:282, and TYR:520. Captopril formed two conventional hydrogen bonds with ARG:124, one conventional hydrogen bond with TYR:62 and ASN:85, and one carbon-hydrogen bond with ASN:66. Molecular docking results showed that thiamine, riboflavin, and captopril interacted with ACE through hydrogen bonding and hydrophobic interactions. Thiamine and riboflavin indicated significant inhibition effects on ACE. The IC50 values of thiamine, riboflavin, and captopril were found as 960.56 µM, 11.02 µM, and 1.60 nM, respectively. Ki values for thiamine, riboflavin, and captopril were determined as 1352.04 µM, 12.30 µM, and 1.06 nM, respectively.
UNASSIGNED: In this work, it was concluded that thiamine and riboflavin may have preventive and therapeutical impacts against high blood pressure with their ACE inhibitor effect. Thiamine and riboflavin showed a lower inhibitory effect with a higher IC50 than captopril. However, when the inhibitory effect of thiamine and riboflavin vitamins is compared to captopril, it is concluded that they may be natural inhibitors with fewer side effects.
UNASSIGNED: Herein, ACE was purified from sheep plasma by affinity chromatography. The effect of thiamine and riboflavin on ACE was researched. Molecular docking studies were performed to understand the molecular interactions between thiamine, riboflavin, and captopril with ACE.
UNASSIGNED: The purification coefficient was found to be 8636 fold. The binding energy of thiamine, riboflavin, and captopril was found to be -6.7 kcal/mol, -8.1 kcal/mol, and -5.5 kcal/mol, respectively. Thiamine conformed to three conventional hydrogen bonds with ASP:415, HIS:513, and LYS:454. Riboflavin formed four conventional hydrogen bonds with GLN:281, GLU:376, THR:282, and TYR:520. Captopril formed two conventional hydrogen bonds with ARG:124, one conventional hydrogen bond with TYR:62 and ASN:85, and one carbon-hydrogen bond with ASN:66. Molecular docking results showed that thiamine, riboflavin, and captopril interacted with ACE through hydrogen bonding and hydrophobic interactions. Thiamine and riboflavin indicated significant inhibition effects on ACE. The IC50 values of thiamine, riboflavin, and captopril were found as 960.56 µM, 11.02 µM, and 1.60 nM, respectively. Ki values for thiamine, riboflavin, and captopril were determined as 1352.04 µM, 12.30 µM, and 1.06 nM, respectively.
UNASSIGNED: In this work, it was concluded that thiamine and riboflavin may have preventive and therapeutical impacts against high blood pressure with their ACE inhibitor effect. Thiamine and riboflavin showed a lower inhibitory effect with a higher IC50 than captopril. However, when the inhibitory effect of thiamine and riboflavin vitamins is compared to captopril, it is concluded that they may be natural inhibitors with fewer side effects.
摘要：
■血管紧张素转换酶（ACE，EC3.4.15.1）是调节血压的非常重要的因素。此外，天然化合物对ACE的抑制作用已成为治疗高血压的重要研究领域。从绵羊血浆中纯化并表征ACE。分子对接研究与硫胺素的抑制作用,核黄素,和卡托普利对ACE的影响进行了研究。
■这里，通过亲和层析从绵羊血浆中纯化ACE。研究了硫胺素和核黄素对ACE的影响。进行了分子对接研究，以了解硫胺素之间的分子相互作用，核黄素,和卡托普利与ACE。
■发现纯化系数为8636倍。硫胺素的结合能,核黄素,卡托普利的浓度为-6.7千卡/摩尔，-8.1千卡/摩尔，和-5.5千卡/摩尔，分别。硫胺素与ASP：415，HIS：513和LYS：454符合三个常规氢键。核黄素与GLN：281，GLU：376，THR：282和TYR：520形成四个常规氢键。卡托普利与ARG：124形成两个常规氢键，一个与TYR：62和ASN：85形成常规氢键，一个与ASN：66形成碳氢键。分子对接结果表明,硫胺素,核黄素,卡托普利通过氢键和疏水相互作用与ACE相互作用。硫胺素和核黄素对ACE有明显的抑制作用。硫胺素的IC50值，核黄素,卡托普利被发现为960.56µM，11.02µM,和1.60nM，分别。硫胺素的Ki值，核黄素,和卡托普利被确定为1352.04µM，12.30µM,和1.06nM，分别。
■在这项工作中，结论是硫胺素和核黄素可能具有ACE抑制剂作用对高血压具有预防和治疗作用。硫胺素和核黄素显示出比卡托普利更低的抑制作用和更高的IC50。然而,当硫胺素和核黄素维生素的抑制作用与卡托普利相比时，结论是它们可能是副作用较小的天然抑制剂。
■这里，通过亲和层析从绵羊血浆中纯化ACE。研究了硫胺素和核黄素对ACE的影响。进行了分子对接研究，以了解硫胺素之间的分子相互作用，核黄素,和卡托普利与ACE。
■发现纯化系数为8636倍。硫胺素的结合能,核黄素,卡托普利的浓度为-6.7千卡/摩尔，-8.1千卡/摩尔，和-5.5千卡/摩尔，分别。硫胺素与ASP：415，HIS：513和LYS：454符合三个常规氢键。核黄素与GLN：281，GLU：376，THR：282和TYR：520形成四个常规氢键。卡托普利与ARG：124形成两个常规氢键，一个与TYR：62和ASN：85形成常规氢键，一个与ASN：66形成碳氢键。分子对接结果表明,硫胺素,核黄素,卡托普利通过氢键和疏水相互作用与ACE相互作用。硫胺素和核黄素对ACE有明显的抑制作用。硫胺素的IC50值，核黄素,卡托普利被发现为960.56µM，11.02µM,和1.60nM，分别。硫胺素的Ki值，核黄素,和卡托普利被确定为1352.04µM，12.30µM,和1.06nM，分别。
■在这项工作中，结论是硫胺素和核黄素可能具有ACE抑制剂作用对高血压具有预防和治疗作用。硫胺素和核黄素显示出比卡托普利更低的抑制作用和更高的IC50。然而,当硫胺素和核黄素维生素的抑制作用与卡托普利相比时，结论是它们可能是副作用较小的天然抑制剂。
