Molecular Modeling Targeting the ACE2 Receptor with

ACE2 ADMET COVID-19 Cannabis sativa Medicinal plant SARS-CoV-2 drug discovery molecular docking spike

Journal

Bioinformatics and biology insights
ISSN: 1177-9322
Titre abrégé: Bioinform Biol Insights
Pays: United States
ID NLM: 101467187

Informations de publication

Date de publication:
2022
Historique:
received: 31 08 2022
accepted: 25 11 2022
entrez: 30 12 2022
pubmed: 31 12 2022
medline: 31 12 2022
Statut: epublish

Résumé

The emergence of a novel coronavirus that later on rendered a global pandemic, caused desperation within the communities and drove increased interest in exploring medicinal plant-based therapeutics to treat and prevent severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus infections. Many medicinal plants have been reported to have antiviral, anti-inflammatory, and immunomodulatory effects that hinder, cure, or ease the symptoms of COVID-19 infection. This exploratory study seeks to dock the active components of

Identifiants

pubmed: 36582392
doi: 10.1177/11779322221145380
pii: 10.1177_11779322221145380
pmc: PMC9793058
doi:

Types de publication

Journal Article

Langues

eng

Pagination

11779322221145380

Informations de copyright

© The Author(s) 2022.

Déclaration de conflit d'intérêts

The author(s) declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article.

Références

Aging (Albany NY). 2020 Nov 22;12(22):22425-22444
pubmed: 33221759
Phytochemistry. 2008 Oct;69(14):2627-33
pubmed: 18774146
Methods Mol Biol. 2015;1263:243-50
pubmed: 25618350
Postgrad Med J. 2020 Jul;96(1137):403-407
pubmed: 32522846
Nature. 1971 Aug 20;232(5312):579-80
pubmed: 4937510
Molecules. 2021 Mar 22;26(6):
pubmed: 33809963
Phytother Res. 2021 Mar;35(3):1298-1312
pubmed: 33037698
Adv Exp Med Biol. 2021;1264:1-13
pubmed: 33332000
Trends Endocrinol Metab. 2004 May-Jun;15(4):166-9
pubmed: 15109615
J Biol Chem. 2004 Apr 23;279(17):17996-8007
pubmed: 14754895
Cell. 2020 Apr 16;181(2):271-280.e8
pubmed: 32142651
J Med Chem. 2015 May 14;58(9):4066-72
pubmed: 25860834
J Nat Prod. 2022 Jan 28;85(1):176-184
pubmed: 35007072
Tetrahedron Lett. 1969 Jan;(3):145-7
pubmed: 5778489
J Comput Chem. 2009 Dec;30(16):2785-91
pubmed: 19399780
Nature. 2003 Nov 27;426(6965):450-4
pubmed: 14647384
J Pharm Pharm Sci. 2014;17(1):1-19
pubmed: 24735758
J Phys Chem Lett. 2021 May 27;12(20):4814-4822
pubmed: 33999630
Sci Rep. 2017 Mar 03;7:42717
pubmed: 28256516
Bull Narc. 2005;57(1-2):79-118
pubmed: 21338017
RSC Adv. 2020 Nov 1;10(65):39808-39813
pubmed: 35515386
J Nat Prod. 1980 Mar-Apr;43(2):169-234
pubmed: 6991645
Planta Med. 2011 Dec;77(18):1984-9
pubmed: 21800276
Int J Pharm. 2013 Aug 30;453(1):3-11
pubmed: 23124107
Drug Dev Ind Pharm. 2020 Aug;46(8):1345-1353
pubmed: 32643448
Cell Mol Life Sci. 2004 Nov;61(21):2704-13
pubmed: 15549171
Life Sci. 2005 Dec 22;78(5):539-48
pubmed: 16199061
Int J Biol Macromol. 2021 Jan 31;168:474-485
pubmed: 33290767

Auteurs

Zainab El Ouafi (Z)

Laboratory of Genomics and Bioinformatics, School of Pharmacy, Mohammed VI University of Health Sciences Casablanca, Casablanca, Morocco.

Wajih Rhalem (W)

Electronic Systems, Sensors and Nanobiotechnologies (E2SN), École Nationale Supérieure des Arts et Métiers (ENSAM), Mohammed V University, Rabat, Morocco.

Nihal Habib (N)

Laboratory of Genomics and Bioinformatics, School of Pharmacy, Mohammed VI University of Health Sciences Casablanca, Casablanca, Morocco.

Abdellah Idrissi Azami (A)

Laboratory of Genomics and Bioinformatics, School of Pharmacy, Mohammed VI University of Health Sciences Casablanca, Casablanca, Morocco.

Sofia Sehli (S)

Laboratory of Genomics and Bioinformatics, School of Pharmacy, Mohammed VI University of Health Sciences Casablanca, Casablanca, Morocco.

Najib Al Idrissi (N)

Department of Surgery, School of Medicine, Mohammed VI University of Health Sciences Casablanca, Casablanca, Morocco.

Fadil Bakkali (F)

Toxicology Laboratory, School of Medicine, Mohammed VI University of Health Sciences (UM6SS) Casablanca, Casablanca, Morocco.

Rfaki Abderrazak (R)

National Center for Scientific and Technical Research (CNRST), Rabat, Morocco.

Mohamed Merzouki (M)

Bioengineering Laboratory, Faculty of Science and Technologies, University of Sultan Moulay Slimane, Beni Mellal, Morocco.

Imane Allali (I)

Laboratory of Human Pathologies Biology, Department of Biology, Faculty of Sciences, and Genomic Center of Human Pathologies, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Rabat, Morocco.

Saaïd Amzazi (S)

Laboratory of Human Pathologies Biology, Department of Biology, Faculty of Sciences, and Genomic Center of Human Pathologies, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Rabat, Morocco.

Chakib Nejjari (C)

Department of Epidemiology and Biostatistics, International School of Public Health, Mohammed VI University of Health Sciences Casablanca, Casablanca, Morocco.
Department of Epidemiology and Public Health, Faculty of Medicine, University Sidi Mohammed Ben Abdellah, Fes, Morocco.

Hassan Ghazal (H)

Laboratory of Genomics and Bioinformatics, School of Pharmacy, Mohammed VI University of Health Sciences Casablanca, Casablanca, Morocco.
Electronic Systems, Sensors and Nanobiotechnologies (E2SN), École Nationale Supérieure des Arts et Métiers (ENSAM), Mohammed V University, Rabat, Morocco.
National Center for Scientific and Technical Research (CNRST), Rabat, Morocco.

Classifications MeSH