Treatment and Management of Hypertension by Targeting ACE Inhibitors: in silico Approach

Q4 Agricultural and Biological Sciences International Journal Bioautomation Pub Date : 2019-03-01 DOI:10.7546/IJBA.2019.23.1.13-28
S. Bawa, S. Yasmin, V. Saini, T. Chakraborty, S. S. Chaudhaery, Yousuf Ansari
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Abstract

Hypertension means increase in blood pressure. There are different drugs which are available both as single dose and as combination therapy for treatment and management of hypertension. Our target is Angiotensin Converting Enzyme (ACE) inhibitors for better therapy or improved therapy of the hypertension patient. ACE in complex with inhibitor lisinopril, zinc cation and chloride ions (anions) have a similar structure to angiotensin I and bind to the active site of the ACE protein. The literature suggested that there are different classes of ACE inhibitors and describes their interaction with currently available drugs. We have also compiled the data on the proper management of hypertension with another relevant disease like diabetes. The number of available PDB three dimensional structure of ACE protein having different organism (74); Homo sapiens (49), Drosophila melanogaster (22), Severe acute respiratory (5), Paguma larvata (5), Bacillus thermoproteolyticus (3), Severe acute respiratory (3), Gloydius blomhoffii (2), Other (3). Our target is a well-known protein with high resolution in a human structure that is crystal structure of the Angiotensin1 converting enzyme N-domain in complex with amyloid-beta 35-42 (PDB ID-5AMB) of recently submitted (2015) with high resolution (1.55 Å). The characteristic features of ACE having a zinc binding metallopeptidase consist of two domain of N and C terminal (different binding pattern). We have designed a better ligand interaction with this protein.
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靶向血管紧张素转换酶抑制剂治疗和管理高血压的计算机方法
高血压意味着血压升高。有不同的药物可作为单剂量和联合治疗高血压。我们的目标是血管紧张素转换酶(ACE)抑制剂,以更好地治疗或改善高血压患者的治疗。ACE与抑制剂赖诺普利、锌阳离子和氯离子(阴离子)的复合物具有与血管紧张素I相似的结构,并与ACE蛋白的活性位点结合。文献表明ACE抑制剂有不同的种类,并描述了它们与目前可用药物的相互作用。我们还汇编了关于高血压和糖尿病等其他相关疾病的正确管理的数据。具有不同生物体的ACE蛋白的可用PDB三维结构的数量(74);智人(49),黑腹果蝇(22),严重急性呼吸系统疾病(5),大腹蛙(5)、热解芽孢杆菌(3),严重严重急性呼吸系疾病(3)、blomhoffii Gloydius(2),其他(3)。我们的靶标是一种在人类结构中具有高分辨率的众所周知的蛋白质,该蛋白质是最近提交(2015)的高分辨率(1.55Å)的与淀粉样蛋白β35-42(PDB ID-5AMB)复合的血管紧张素1转换酶N结构域的晶体结构。具有锌结合金属肽酶的ACE的特征特征由N和C末端的两个结构域组成(不同的结合模式)。我们设计了一种与这种蛋白质更好的配体相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
International Journal Bioautomation
International Journal Bioautomation Agricultural and Biological Sciences-Food Science
CiteScore
1.10
自引率
0.00%
发文量
22
审稿时长
12 weeks
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