Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study

Abdoullah Bimoussa; Ali Oubella; Manal A. Alossaimi; Mubashir Aziz; Hafiz Muhammad Attaullah; Syeda Abida Ejaz; Hamid Morjani; Aziz Auhmani; Anthony Robert; Abdelkhalek Riahi; Yassine Riadi; Moulay Youssef Ait Itto

doi:10.1080/17568919.2024.2394019

Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study

Abdoullah Bimoussa, Ali Oubella, Manal A. Alossaimi, Mubashir Aziz, Hafiz Muhammad Attaullah, Syeda Abida Ejaz, Hamid Morjani, Aziz Auhmani, Anthony Robert, Abdelkhalek Riahi, Yassine Riadi, Moulay Youssef Ait Itto

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Aim: A series of (R)-Carvone-based 1,2,3-triazole-thiazolidinone 17a-h hybrids were synthesized and characterized by spectroscopic techniques NMR and HRMS. The chemical reactivity and the stability parameters were observed via DFT. Method/results: The objective was to evaluate the anticancer activity of the synthesized compounds against cancer cell lines. The mechanism of action by which the 17b and 17g exert their effect suggested that they may induce apoptosis through activation of caspase-3/7. This effect was observed against the most important NIMA-related kinases via Docking investigation. The designed compounds were identified as the best inhibitors of the NEK family via the inactivation of the caspase-3. The Docking results were supported by Dynamics where the binding energies justified the medicinal importance of the synthesized derivatives.

Original language	English
Pages (from-to)	2193-2210
Number of pages	18
Journal	Future Medicinal Chemistry
Volume	16
Issue number	21
DOIs	https://doi.org/10.1080/17568919.2024.2394019
State	Published - 2024

Keywords

Bis-1,2,3-triazole
apoptosis
copper (II)-catalyzed
in vitro cytotoxic
molecular docking
molecular dynamic

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1080/17568919.2024.2394019

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Bimoussa, A., Oubella, A., Alossaimi, M. A., Aziz, M., Attaullah, H. M., Ejaz, S. A., Morjani, H., Auhmani, A., Robert, A., Riahi, A., Riadi, Y., & Ait Itto, M. Y. (2024). Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study. Future Medicinal Chemistry, 16(21), 2193-2210. https://doi.org/10.1080/17568919.2024.2394019

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title = "Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study",

abstract = "Aim: A series of (R)-Carvone-based 1,2,3-triazole-thiazolidinone 17a-h hybrids were synthesized and characterized by spectroscopic techniques NMR and HRMS. The chemical reactivity and the stability parameters were observed via DFT. Method/results: The objective was to evaluate the anticancer activity of the synthesized compounds against cancer cell lines. The mechanism of action by which the 17b and 17g exert their effect suggested that they may induce apoptosis through activation of caspase-3/7. This effect was observed against the most important NIMA-related kinases via Docking investigation. The designed compounds were identified as the best inhibitors of the NEK family via the inactivation of the caspase-3. The Docking results were supported by Dynamics where the binding energies justified the medicinal importance of the synthesized derivatives.",

keywords = "Bis-1,2,3-triazole, apoptosis, copper (II)-catalyzed, in vitro cytotoxic, molecular docking, molecular dynamic",

author = "Abdoullah Bimoussa and Ali Oubella and Alossaimi, \{Manal A.\} and Mubashir Aziz and Attaullah, \{Hafiz Muhammad\} and Ejaz, \{Syeda Abida\} and Hamid Morjani and Aziz Auhmani and Anthony Robert and Abdelkhalek Riahi and Yassine Riadi and \{Ait Itto\}, \{Moulay Youssef\}",

note = "Publisher Copyright: {\textcopyright} 2024 Informa UK Limited, trading as Taylor \& Francis Group.",

year = "2024",

doi = "10.1080/17568919.2024.2394019",

language = "English",

volume = "16",

pages = "2193--2210",

journal = "Future Medicinal Chemistry",

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publisher = "Taylor and Francis Ltd.",

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Bimoussa, A, Oubella, A, Alossaimi, MA, Aziz, M, Attaullah, HM, Ejaz, SA, Morjani, H, Auhmani, A, Robert, A, Riahi, A, Riadi, Y & Ait Itto, MY 2024, 'Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study', Future Medicinal Chemistry, vol. 16, no. 21, pp. 2193-2210. https://doi.org/10.1080/17568919.2024.2394019

TY - JOUR

T1 - Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study

AU - Bimoussa, Abdoullah

AU - Oubella, Ali

AU - Alossaimi, Manal A.

AU - Aziz, Mubashir

AU - Attaullah, Hafiz Muhammad

AU - Ejaz, Syeda Abida

AU - Morjani, Hamid

AU - Auhmani, Aziz

AU - Robert, Anthony

AU - Riahi, Abdelkhalek

AU - Riadi, Yassine

AU - Ait Itto, Moulay Youssef

PY - 2024

Y1 - 2024

N2 - Aim: A series of (R)-Carvone-based 1,2,3-triazole-thiazolidinone 17a-h hybrids were synthesized and characterized by spectroscopic techniques NMR and HRMS. The chemical reactivity and the stability parameters were observed via DFT. Method/results: The objective was to evaluate the anticancer activity of the synthesized compounds against cancer cell lines. The mechanism of action by which the 17b and 17g exert their effect suggested that they may induce apoptosis through activation of caspase-3/7. This effect was observed against the most important NIMA-related kinases via Docking investigation. The designed compounds were identified as the best inhibitors of the NEK family via the inactivation of the caspase-3. The Docking results were supported by Dynamics where the binding energies justified the medicinal importance of the synthesized derivatives.

AB - Aim: A series of (R)-Carvone-based 1,2,3-triazole-thiazolidinone 17a-h hybrids were synthesized and characterized by spectroscopic techniques NMR and HRMS. The chemical reactivity and the stability parameters were observed via DFT. Method/results: The objective was to evaluate the anticancer activity of the synthesized compounds against cancer cell lines. The mechanism of action by which the 17b and 17g exert their effect suggested that they may induce apoptosis through activation of caspase-3/7. This effect was observed against the most important NIMA-related kinases via Docking investigation. The designed compounds were identified as the best inhibitors of the NEK family via the inactivation of the caspase-3. The Docking results were supported by Dynamics where the binding energies justified the medicinal importance of the synthesized derivatives.

KW - Bis-1,2,3-triazole

KW - apoptosis

KW - copper (II)-catalyzed

KW - in vitro cytotoxic

KW - molecular docking

KW - molecular dynamic

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U2 - 10.1080/17568919.2024.2394019

DO - 10.1080/17568919.2024.2394019

M3 - Article

C2 - 39387360

AN - SCOPUS:85206144368

SN - 1756-8919

VL - 16

SP - 2193

EP - 2210

JO - Future Medicinal Chemistry

JF - Future Medicinal Chemistry

IS - 21

ER -

Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study

Abstract

Keywords

UN SDGs

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