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Inhibiting Human and Arginases Using as a Potential Therapy for Cutaneous Leishmaniasis: A Molecular Docking Study.

作者信息

Assouab Aicha, El Filaly Hajar, Akarid Khadija

机构信息

Biochemistry, Biotechnology and Immunophysiopathology Research Team, Health and Environment Laboratory, Ain Chock Faculty of Sciences, Hassan II University of Casablanca, Casablanca 20100, Morocco.

出版信息

Trop Med Infect Dis. 2022 Nov 26;7(12):400. doi: 10.3390/tropicalmed7120400.


DOI:10.3390/tropicalmed7120400
PMID:36548655
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9783378/
Abstract

Cutaneous leishmaniasis (CL), a vector-borne parasitic disease caused by the protozoan, is a serious public health problem in Morocco. The treatment of this disease is still based on pentavalent antimonials as the primary therapy, but these have associated side effects. Thus, the development of effective, risk-free alternative therapeutics based on natural compounds against leishmaniasis is urgent. Arginase, the key enzyme in the polyamine biosynthetic pathway, plays a critical role in outcome and has emerged as a potential therapeutic target. The objective of this study was to test 's phytochemical components (cannabinoids and terpenoids) through molecular docking against and human arginase enzymes. Our results showed that delta-9-tetrahydrocannabinol (THC) possessed the best binding energies of -6.02 and -6.35 kcal/mol with active sites of and human arginases, respectively. Delta-9-THC interacted with arginase through various amino acids including His139 and His 154 and linked to human arginase via His 126. In addition to delta-9-THC, caryophyllene oxide and cannabidiol (CBD) also showed a good inhibition of and human arginases, respectively. Overall, the studied components were found to inhibit both arginases active sites via hydrogen bonds and hydrophobic interactions. These components may serve as therapeutic agents or in co-administrated therapy for leishmaniasis.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb07/9783378/18180927cbe2/tropicalmed-07-00400-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb07/9783378/bcbdd3bcc8b0/tropicalmed-07-00400-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb07/9783378/18180927cbe2/tropicalmed-07-00400-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb07/9783378/bcbdd3bcc8b0/tropicalmed-07-00400-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb07/9783378/18180927cbe2/tropicalmed-07-00400-g002.jpg

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[1]
Inhibiting Human and Arginases Using as a Potential Therapy for Cutaneous Leishmaniasis: A Molecular Docking Study.

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引用本文的文献

[1]
Itaconate: A Nexus Metabolite Fueling Survival Through Lipid Metabolism Modulation.

Microorganisms. 2025-2-27

本文引用的文献

[1]
Environmental, Climatic, and Parasite Molecular Factors Impacting the Incidence of Cutaneous Leishmaniasis Due to in Three Moroccan Foci.

Microorganisms. 2022-8-25

[2]
The antimicrobial effect behind Cannabis sativa.

Pharmacol Res Perspect. 2021-4

[3]
Chemical and Bioinformatics Analyses of the Anti-Leishmanial and Anti-Oxidant Activities of Hemp Essential Oil.

Biomolecules. 2021-2-12

[4]
Macrophages as host, effector and immunoregulatory cells in leishmaniasis: Impact of tissue micro-environment and metabolism.

Cytokine X. 2020-10-12

[5]
Natural Products That Target the Arginase in Parasites Hold Therapeutic Promise.

Microorganisms. 2021-1-28

[6]
Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.

J Struct Biol X. 2019-11-26

[7]
The outcome of arginase activity inhibition in BALB/c mice hosting Leishmania tropica.

Parasite Immunol. 2020-1-7

[8]
How does cannabidiol (CBD) influence the acute effects of delta-9-tetrahydrocannabinol (THC) in humans? A systematic review.

Neurosci Biobehav Rev. 2019-9-30

[9]
Probing the antioxidant activity of Δ-tetrahydrocannabinol and cannabidiol in Cannabis sativa extracts.

Analyst. 2019-8-5

[10]
Phenylhydrazides as inhibitors of Leishmania amazonensis arginase and antileishmanial activity.

Bioorg Med Chem. 2019-7-11

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