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Insights into the role of the cobalt(III)-thiosemicarbazone complex as a potential inhibitor of the Chikungunya virus nsP4.

التفاصيل البيبلوغرافية
العنوان: Insights into the role of the cobalt(III)-thiosemicarbazone complex as a potential inhibitor of the Chikungunya virus nsP4.
المؤلفون: Martins DOS; Institute of Biomedical Sciences, Federal University of Uberlândia, Avenida Amazonas, 4C- Room 216, Umuarama, Uberlândia, MG, 38405-302, Brazil.; São Paulo State University, IBILCE, São José do Rio Preto, SP, Brazil., Souza RAC; Bioinorganic Chemistry Group, Institute of Chemistry, Federal University of Uberlândia, Uberlândia, MG, 38408-100, Brazil., Freire MCLC; Physics Institute of São Carlos, University of São Paulo, São Carlos, SP, Brazil., de Moraes Roso Mesquita NC; Physics Institute of São Carlos, University of São Paulo, São Carlos, SP, Brazil., Santos IA; Institute of Biomedical Sciences, Federal University of Uberlândia, Avenida Amazonas, 4C- Room 216, Umuarama, Uberlândia, MG, 38405-302, Brazil., de Oliveira DM; Institute of Biomedical Sciences, Federal University of Uberlândia, Avenida Amazonas, 4C- Room 216, Umuarama, Uberlândia, MG, 38405-302, Brazil., Junior NN; Molecular Modeling Laboratory, Institute of Biotechnology, Federal University of Uberlândia, Uberlândia, Brazil., de Paiva REF; Department of Fundamental Chemistry, Institute of Chemistry, University of São Paulo, São Paulo, SP, Brazil., Harris M; Faculty of Biological Sciences and Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, UK., Oliveira CG; Bioinorganic Chemistry Group, Institute of Chemistry, Federal University of Uberlândia, Uberlândia, MG, 38408-100, Brazil. carolina@ufu.br., Oliva G; Physics Institute of São Carlos, University of São Paulo, São Carlos, SP, Brazil., Jardim ACG; Institute of Biomedical Sciences, Federal University of Uberlândia, Avenida Amazonas, 4C- Room 216, Umuarama, Uberlândia, MG, 38405-302, Brazil. jardim@ufu.br.; São Paulo State University, IBILCE, São José do Rio Preto, SP, Brazil. jardim@ufu.br.
المصدر: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry [J Biol Inorg Chem] 2023 Feb; Vol. 28 (1), pp. 101-115. Date of Electronic Publication: 2022 Dec 09.
نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't
اللغة: English
بيانات الدورية: Publisher: Springer Country of Publication: Germany NLM ID: 9616326 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-1327 (Electronic) Linking ISSN: 09498257 NLM ISO Abbreviation: J Biol Inorg Chem Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Berlin : Springer, c1996-
مواضيع طبية MeSH: Chikungunya Fever*/drug therapy , Chikungunya Fever*/metabolism , Chikungunya virus*/metabolism, Humans ; Viral Nonstructural Proteins/metabolism ; Viral Nonstructural Proteins/pharmacology ; Viral Nonstructural Proteins/therapeutic use ; Cobalt/pharmacology ; Molecular Docking Simulation ; Antiviral Agents/pharmacology ; Antiviral Agents/therapeutic use
مستخلص: Chikungunya virus (CHIKV) is the causative agent of chikungunya fever, a disease that can result in disability. Until now, there is no antiviral treatment against CHIKV, demonstrating that there is a need for development of new drugs. Studies have shown that thiosemicarbazones and their metal complexes possess biological activities, and their synthesis is simple, clean, versatile, and results in high yields. Here, we evaluated the mechanism of action (MOA) of a cobalt(III) thiosemicarbazone complex named [Co III (L 1 ) 2 ]Cl based on its in vitro potent antiviral activity against CHIKV previously evaluated (80% of inhibition on replication). Furthermore, the complex has no toxicity in healthy cells, as confirmed by infecting BHK-21 cells with CHIKV-nanoluciferase in the presence of the compound, showing that [Co III (L 1 ) 2 ]Cl inhibited CHIKV infection with the selective index of 3.26. [Co III (L 1 ) 2 ]Cl presented a post-entry effect on viral replication, emphasized by the strong interaction of [Co III (L 1 ) 2 ]Cl with CHIKV non-structural protein 4 (nsP4) in the microscale thermophoresis assay, suggesting a potential mode of action of this compound against CHIKV. Moreover, in silico analyses by molecular docking demonstrated potential interaction of [Co III (L 1 ) 2 ]Cl with nsP4 through hydrogen bonds, hydrophobic and electrostatic interactions. The evaluation of ADME-Tox properties showed that [Co III (L 1 ) 2 ]Cl presents appropriate lipophilicity, good human intestinal absorption, and has no toxicological effect as irritant, mutagenic, reproductive, and tumorigenic side effects.
(© 2022. The Author(s), under exclusive licence to Society for Biological Inorganic Chemistry (SBIC).)
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معلومات مُعتمدة: 096670 United Kingdom WT_ Wellcome Trust; United Kingdom WT_ Wellcome Trust
فهرسة مساهمة: Keywords: ADME-Tox; Antiviral activity; Chikungunya virus; Mechanism of action; Metal ion; Molecular docking
المشرفين على المادة: 0 (Viral Nonstructural Proteins)
3G0H8C9362 (Cobalt)
0 (Antiviral Agents)
تواريخ الأحداث: Date Created: 20221209 Date Completed: 20230222 Latest Revision: 20240423
رمز التحديث: 20240423
مُعرف محوري في PubMed: PMC9735056
DOI: 10.1007/s00775-022-01974-z
PMID: 36484824
قاعدة البيانات: MEDLINE
الوصف
تدمد:1432-1327
DOI:10.1007/s00775-022-01974-z