Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives
AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compo...
Ausführliche Beschreibung
Autor*in: |
Meng-Yu Xia [verfasserIn] Yu-Xiang Cai [verfasserIn] Jun-Xian Chen [verfasserIn] Xin Zhao [verfasserIn] Hong-Mei Dong [verfasserIn] Zai-Chang Yang [verfasserIn] |
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E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2023 |
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Übergeordnetes Werk: |
In: Journal of Enzyme Inhibition and Medicinal Chemistry - Taylor & Francis Group, 2017, 38(2023), 1 |
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Übergeordnetes Werk: |
volume:38 ; year:2023 ; number:1 |
Links: |
Link aufrufen |
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DOI / URN: |
10.1080/14756366.2023.2229070 |
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Katalog-ID: |
DOAJ100006078 |
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520 | |a AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. | ||
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10.1080/14756366.2023.2229070 doi (DE-627)DOAJ100006078 (DE-599)DOAJdfb6275a3e4142128e771beb16edc91d DE-627 ger DE-627 rakwb eng RM1-950 Meng-Yu Xia verfasserin aut Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. Mycobacterium tuberculosis KatG inhibitor triazole derivatives Therapeutics. Pharmacology Yu-Xiang Cai verfasserin aut Jun-Xian Chen verfasserin aut Xin Zhao verfasserin aut Hong-Mei Dong verfasserin aut Zai-Chang Yang verfasserin aut In Journal of Enzyme Inhibition and Medicinal Chemistry Taylor & Francis Group, 2017 38(2023), 1 (DE-627)330383906 (DE-600)2049579-1 14756374 nnns volume:38 year:2023 number:1 https://doi.org/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/article/dfb6275a3e4142128e771beb16edc91d kostenfrei https://www.tandfonline.com/doi/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/toc/1475-6366 Journal toc kostenfrei https://doaj.org/toc/1475-6374 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 38 2023 1 |
spelling |
10.1080/14756366.2023.2229070 doi (DE-627)DOAJ100006078 (DE-599)DOAJdfb6275a3e4142128e771beb16edc91d DE-627 ger DE-627 rakwb eng RM1-950 Meng-Yu Xia verfasserin aut Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. Mycobacterium tuberculosis KatG inhibitor triazole derivatives Therapeutics. Pharmacology Yu-Xiang Cai verfasserin aut Jun-Xian Chen verfasserin aut Xin Zhao verfasserin aut Hong-Mei Dong verfasserin aut Zai-Chang Yang verfasserin aut In Journal of Enzyme Inhibition and Medicinal Chemistry Taylor & Francis Group, 2017 38(2023), 1 (DE-627)330383906 (DE-600)2049579-1 14756374 nnns volume:38 year:2023 number:1 https://doi.org/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/article/dfb6275a3e4142128e771beb16edc91d kostenfrei https://www.tandfonline.com/doi/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/toc/1475-6366 Journal toc kostenfrei https://doaj.org/toc/1475-6374 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 38 2023 1 |
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10.1080/14756366.2023.2229070 doi (DE-627)DOAJ100006078 (DE-599)DOAJdfb6275a3e4142128e771beb16edc91d DE-627 ger DE-627 rakwb eng RM1-950 Meng-Yu Xia verfasserin aut Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. Mycobacterium tuberculosis KatG inhibitor triazole derivatives Therapeutics. Pharmacology Yu-Xiang Cai verfasserin aut Jun-Xian Chen verfasserin aut Xin Zhao verfasserin aut Hong-Mei Dong verfasserin aut Zai-Chang Yang verfasserin aut In Journal of Enzyme Inhibition and Medicinal Chemistry Taylor & Francis Group, 2017 38(2023), 1 (DE-627)330383906 (DE-600)2049579-1 14756374 nnns volume:38 year:2023 number:1 https://doi.org/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/article/dfb6275a3e4142128e771beb16edc91d kostenfrei https://www.tandfonline.com/doi/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/toc/1475-6366 Journal toc kostenfrei https://doaj.org/toc/1475-6374 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 38 2023 1 |
allfieldsGer |
10.1080/14756366.2023.2229070 doi (DE-627)DOAJ100006078 (DE-599)DOAJdfb6275a3e4142128e771beb16edc91d DE-627 ger DE-627 rakwb eng RM1-950 Meng-Yu Xia verfasserin aut Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. Mycobacterium tuberculosis KatG inhibitor triazole derivatives Therapeutics. Pharmacology Yu-Xiang Cai verfasserin aut Jun-Xian Chen verfasserin aut Xin Zhao verfasserin aut Hong-Mei Dong verfasserin aut Zai-Chang Yang verfasserin aut In Journal of Enzyme Inhibition and Medicinal Chemistry Taylor & Francis Group, 2017 38(2023), 1 (DE-627)330383906 (DE-600)2049579-1 14756374 nnns volume:38 year:2023 number:1 https://doi.org/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/article/dfb6275a3e4142128e771beb16edc91d kostenfrei https://www.tandfonline.com/doi/10.1080/14756366.2023.2229070 kostenfrei https://doaj.org/toc/1475-6366 Journal toc kostenfrei https://doaj.org/toc/1475-6374 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 38 2023 1 |
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Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives |
abstract |
AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. |
abstractGer |
AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. |
abstract_unstemmed |
AbstractFifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs. |
collection_details |
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container_issue |
1 |
title_short |
Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives |
url |
https://doi.org/10.1080/14756366.2023.2229070 https://doaj.org/article/dfb6275a3e4142128e771beb16edc91d https://www.tandfonline.com/doi/10.1080/14756366.2023.2229070 https://doaj.org/toc/1475-6366 https://doaj.org/toc/1475-6374 |
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author2 |
Yu-Xiang Cai Jun-Xian Chen Xin Zhao Hong-Mei Dong Zai-Chang Yang |
author2Str |
Yu-Xiang Cai Jun-Xian Chen Xin Zhao Hong-Mei Dong Zai-Chang Yang |
ppnlink |
330383906 |
callnumber-subject |
RM - Therapeutics and Pharmacology |
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doi_str |
10.1080/14756366.2023.2229070 |
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up_date |
2024-07-04T01:14:51.737Z |
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