Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases

Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases

Alzheimer's disease (AD) is currently regarded as a global health concern; there are now about 50 million AD patients worldwide, and it is predicted that this number will double every five years and reach 152 million by 2050. Although there are therapies that can help with the symptoms of Alzhe...

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Published in:Journal of Molecular Structure
Main Author: Siddiqui S.Z.; Arfan M.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Parveen R.; Ashraf M.; Solangi M.; Hussain S.; Khan K.M.
Format: Article
Language:English
Published: Elsevier B.V. 2023
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85160806262&doi=10.1016%2fj.molstruc.2023.135885&partnerID=40&md5=46073bcb625a8f3819b2b439e40d495c
id 2-s2.0-85160806262
spelling 2-s2.0-85160806262
Siddiqui S.Z.; Arfan M.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Parveen R.; Ashraf M.; Solangi M.; Hussain S.; Khan K.M.
Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
2023
Journal of Molecular Structure
1289

10.1016/j.molstruc.2023.135885
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85160806262&doi=10.1016%2fj.molstruc.2023.135885&partnerID=40&md5=46073bcb625a8f3819b2b439e40d495c
Alzheimer's disease (AD) is currently regarded as a global health concern; there are now about 50 million AD patients worldwide, and it is predicted that this number will double every five years and reach 152 million by 2050. Although there are therapies that can help with the symptoms of Alzheimer's disease, there is currently no cure for the condition. This study synthesized a series of novel triazole scaffolds 7a–k, fully characterized, and investigated to unravel their anticholinesterase potential. Density functional theory (DFT) calculations were carried out to investigate the compounds' molecular geometry and electron distribution. The significant enzymatic inhibitory potential was exhibited by compound 7c against AChE (IC50 = 9.52 ± 0.25 μM) and 7g against BChE (IC50 = 31.51 ± 0.38 μM), in comparison to the standard drug eserine. Moreover, the compounds were also screened for their anti-proliferative activity against HCT-116 human cancer cell lines, with 7f demonstrating 19.2% cell viability at 25 μM and 28.4% cell viability at 50 μM. The bioactivity results were further validated through computational docking analysis. © 2023
Elsevier B.V.
222860
English
Article
author Siddiqui S.Z.; Arfan M.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Parveen R.; Ashraf M.; Solangi M.; Hussain S.; Khan K.M.
spellingShingle Siddiqui S.Z.; Arfan M.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Parveen R.; Ashraf M.; Solangi M.; Hussain S.; Khan K.M.
Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
author_facet Siddiqui S.Z.; Arfan M.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Parveen R.; Ashraf M.; Solangi M.; Hussain S.; Khan K.M.
author_sort Siddiqui S.Z.; Arfan M.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Parveen R.; Ashraf M.; Solangi M.; Hussain S.; Khan K.M.
title Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
title_short Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
title_full Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
title_fullStr Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
title_full_unstemmed Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
title_sort Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents for neurodegenerative diseases
publishDate 2023
container_title Journal of Molecular Structure
container_volume 1289
container_issue
doi_str_mv 10.1016/j.molstruc.2023.135885
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85160806262&doi=10.1016%2fj.molstruc.2023.135885&partnerID=40&md5=46073bcb625a8f3819b2b439e40d495c
description Alzheimer's disease (AD) is currently regarded as a global health concern; there are now about 50 million AD patients worldwide, and it is predicted that this number will double every five years and reach 152 million by 2050. Although there are therapies that can help with the symptoms of Alzheimer's disease, there is currently no cure for the condition. This study synthesized a series of novel triazole scaffolds 7a–k, fully characterized, and investigated to unravel their anticholinesterase potential. Density functional theory (DFT) calculations were carried out to investigate the compounds' molecular geometry and electron distribution. The significant enzymatic inhibitory potential was exhibited by compound 7c against AChE (IC50 = 9.52 ± 0.25 μM) and 7g against BChE (IC50 = 31.51 ± 0.38 μM), in comparison to the standard drug eserine. Moreover, the compounds were also screened for their anti-proliferative activity against HCT-116 human cancer cell lines, with 7f demonstrating 19.2% cell viability at 25 μM and 28.4% cell viability at 50 μM. The bioactivity results were further validated through computational docking analysis. © 2023
publisher Elsevier B.V.
issn 222860
language English
format Article
accesstype
record_format scopus
collection Scopus
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