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Structural and Computational Insights into the Angiotensin II Type 1 Receptor: Advances in Antagonist Design and Implications for Hypertension Therapy (2020–2024)
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Structural and Computational Insights into the Angiotensin II Type 1 Receptor: Advances in Antagonist Design and Implications for Hypertension Therapy (2020–2024)
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Journal Article
Structural and Computational Insights into the Angiotensin II Type 1 Receptor: Advances in Antagonist Design and Implications for Hypertension Therapy (2020–2024)
2025
Overview
The renin–angiotensin–aldosterone system (RAAS) is essential for controlling blood pressure and maintaining fluid balance, driving significant structural changes throughout the cardiovascular system, including the heart and blood vessels. As a result, the RAAS is a key therapeutic target for various chronic cardiovascular diseases, ranging from arterial hypertension (AH) to heart failure (HF). In this review, one of our objectives is to describe the new evidence over the last 4 years regarding the RAAS. Moreover, we pay attention to the structure and function of the angiotensin II type 1 receptor (AT1R) and its role in hypertension, as well as define its active site. Later, we discuss the most potent, selective inhibitors of AT1 receptors, based on in vitro and in vivo experiments, from 2020 to 2024. Large peptide molecules, small non-peptide-like molecules, and sartan derivatives are analyzed. The low IC50 values of the entities that do not resemble sartans showcase the vast chemical space that can be explored for the creation of more potent antihypertensive medications. We have also employed computational chemistry tools in order to identify key molecular interactions between the compounds of the literature studied in order to elucidate the underlying reasons why these different molecules exhibit variations in their binding energies and overall potency.
Publisher
MDPI AG,Multidisciplinary Digital Publishing Institute (MDPI)
Subject
/ Analysis
/ angiotensin II type 1 receptor (AT1R)
/ Angiotensin II Type 1 Receptor Blockers - chemistry
/ Angiotensin II Type 1 Receptor Blockers - pharmacology
/ Angiotensin II Type 1 Receptor Blockers - therapeutic use
/ Animals
/ Antihypertensive Agents - chemistry
/ Antihypertensive Agents - pharmacology
/ Antihypertensive Agents - therapeutic use
/ Enzymes
/ Heart
/ Humans
/ Kidneys
/ Peptides
/ Proteins
/ Receptor, Angiotensin, Type 1 - chemistry
/ Receptor, Angiotensin, Type 1 - metabolism
/ Renin
/ Renin-Angiotensin System - drug effects
/ renin–angiotensin–aldosterone system (RAAS)
/ Review
/ Sodium
