Quantum binding energy features of the drug olmesartan bound to angiotensin type-1 receptors in the therapeutics of stroke-Reference-Cited by-同舟云学术

Quantum binding energy features of the drug olmesartan bound to angiotensin type-1 receptors in the therapeutics of stroke

Published:2021 Issue:41 Volume:45 Page:19487-19496
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Esmaile Stephany Campanelli¹,Bezerra Katyanna Sales¹,de Oliveira Campos Daniel Melo¹^ORCID,da Silva Maria Karolaynne¹,Neto José Xavier Lima¹^ORCID,Manzoni Vinicius²^ORCID,Fulco Umberto Laino¹^ORCID,Oliveira Jonas Ivan Nobre¹^ORCID

Affiliation:

1. Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970, Natal, RN, Brazil

2. Instituto de Física, Universidade Federal de Alagoas, 57072-970, Maceio, AL, Brazil

Abstract

We investigated the binding energies of 105 residues within a 10 Å pocket radius, predicted the energetic relevance of olmesartan regions, and the influence of individual protein segments on OLM -AT1 binding.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D1NJ03975J

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