Key result
ACE inhibitors and their structural interactions with ACE proteins were characterized using in silico approaches and literature review to inform the treatment and management of hypertension.
Why the study?
The study sought to target ACE inhibitors to achieve better or improved therapy for hypertension.
This in silico study designed a novel ligand interaction targeting the N-domain of the human ACE protein for potential hypertension therapy.
May inform ACE inhibitor design for hypertension; leaves open rigorous clinical testing before practice change.
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 Angiotensin-1 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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Bawa et al. (2019) conducted a review in Hypertension. ACE inhibitors was evaluated. ACE inhibitors and their structural interactions with ACE proteins were characterized using in silico approaches and literature review to inform the treatment and management of hypertension.
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