About: Laser irradiated phenothiazines: New potential treatment for COVID-19 explored by molecular docking

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About: Laser irradiated phenothiazines: New potential treatment for COVID-19 explored by molecular docking Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Laser irradiated phenothiazines: New potential treatment for COVID-19 explored by molecular docking
Creator	Avram, Speranta Nistorescu, Simona Pascu, Mihail-Lucian Ro, Mihai Romanitan, Mihaela Udrea, Ana-Maria
source	Elsevier; Medline; PMC
abstract	The worldwide infection with the new Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) demands urgently new potent treatment(s). In this study we predict, using molecular docking, the binding affinity of 15 phenothiazines (antihistaminic and antipsychotic drugs) when interacting with the main protease (M(pro)) of SARS-CoV-2. Additionally, we tested the binding affinity of photoproducts identified after irradiation of phenothiazines with Nd:YAG laser beam at 266 nm respectively 355 nm. Our results reveal that thioridazine and its identified photoproducts (mesoridazine and sulforidazine) have high biological activity on the virus M(pro). This shows that thioridazine and its two photoproducts might represent new potent medicines to be used for treatment in this outbreak. Such results recommend these medicines for further tests on cell cultures infected with SARS-CoV-2 or animal model. The transition to human subjects of the suggested treatment will be smooth due to the fact that the drugs are already available on the market.
has issue date	2020-08-15(xsd:dateTime)
bibo:doi	10.1016/j.jphotobiol.2020.111997
bibo:pmid	32829256
has license	no-cc
sha1sum (hex)	4ac2cc9c5d1db5287f9c085d7aac3cd842e37c12
schema:url	https://doi.org/10.1016/j.jphotobiol.2020.111997
resource representing a document's title	Laser irradiated phenothiazines: New potential treatment for COVID-19 explored by molecular docking
has PubMed Central identifier	PMC7428740
has PubMed identifier	32829256
schema:publication	J Photochem Photobiol B
resource representing a document's body	covid:4ac2cc9c5d1db5287f9c085d7aac3cd842e37c12#body_text
is schema:about of	named entity 'Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2)' named entity 'subjects' named entity 'tested' named entity 'virus' named entity 'human' named entity 'COVID-19' named entity 'Potential' named entity 'Phenothiazines' named entity 'OUTBREAK' named entity 'RECOMMEND' named entity 'identified' named entity 'smooth' named entity 'SARS-CoV-2' named entity 'pro' named entity 'animal model' named entity 'worldwide' named entity 'cell cultures' named entity 'SARS-CoV-2' named entity 'biological activity' named entity 'photoproducts' named entity 'SARS-CoV-2' named entity 'laser beam' named entity 'phenothiazines' named entity 'binding affinity' named entity 'binding affinity' named entity 'phenothiazines' named entity 'molecular docking' named entity 'irradiation' named entity 'protease' named entity 'phenothiazines' named entity 'OpenBabel' named entity 'resistant bacterial strains' named entity 'Coronavirus disease 2019' named entity 'pathogens' named entity 'antipsychotics' named entity 'irradiation' named entity 'biological activity' named entity 'enzyme' named entity 'Phenothiazines' named entity 'Genetic Algorithm' named entity 'h-bond' named entity 'molecular docking' named entity 'SARS-CoV-2' named entity 'viruses' named entity 'inhibitory activity' named entity 'herpesvirus' named entity 'K I' named entity 'coronaviruses' named entity '10 April' named entity 'kcal' named entity 'WHO' named entity 'bacterial strains' named entity 'molecule' named entity 'biological activity' named entity 'Leishmaniasis' named entity 'ultrapure water' named entity 'PDB' named entity 'virus' named entity 'enzyme' named entity 'binding energy' named entity 'PDB' named entity 'small molecules' named entity 'Nd:YAG' named entity 'K I' named entity 'Thioridazine' named entity 'multi-member' named entity 'CPZ' named entity 'amino acid residue' named entity 'fluphenazine' named entity 'CPZ' named entity 'CPZ' named entity 'kcal' named entity 'genus' named entity 'conformation' named entity 'inhibitory activity' named entity 'angiotensin-converting enzyme 2'

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