Effect of substituent and π-stacking interaction on the metal chelation ability of 7-subestituted 2-oxyisoquinoline-1,3(2H,4H)-diones as an HIV integrase inhibitor: A DFT study-Reference-Cited by-同舟云学术

Effect of substituent and π-stacking interaction on the metal chelation ability of 7-subestituted 2-oxyisoquinoline-1,3(2H,4H)-diones as an HIV integrase inhibitor: A DFT study

Published:2019-01 Issue: Volume:1175 Page:734-744
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Akher Farideh Badichi,Farrokhzadeh Abdolkarim,Honarparvar Bahareh

Funder

the School of Health Sciences

the University of KwaZulu-Natal

Centre for High Performance Computing

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference37 articles.

1. Magnesium chelating 2-hydroxyisoquinoline-1, 3 (2 H, 4 H)-diones, as inhibitors of HIV-1 integrase and/or the HIV-1 reverse transcriptase ribonuclease H domain: discovery of a novel selective inhibitor of the ribonuclease H function;Billamboz;J. Med. Chem.,2011

2. 2-Hydroxyisoquinoline-1, 3 (2 H, 4 H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance;Desimmie;ACS Chem. Biol.,2013

3. HIV-1 integrase inhibitors: 2007–2008 update;Ramkumar;Med. Res. Rev.,2010

4. Strand transfer inhibitors of HIV-1 integrase: bringing IN a new era of antiretroviral therapy;McColl;Antivir. Res.,2010

5. 4-Amino-1-hydroxy-2-oxo-1, 8-naphthyridine-containing compounds having high potency against raltegravir-resistant integrase mutants of HIV-1;Zhao;J. Med. Chem.,2014

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1. Modulation of the induced π-stacking interactions between the active site cytosine moiety of HIV-integrase and inhibitors containing substituted-methylbenzene: Physical nature of the positional and substituent effects;Journal of Molecular Structure;2020-01