Cell-based and computational toxicity profiling of thiourea and imine derivatives in Acanthamoeba sp. as environmental bioindicators for potential optoelectronic applications.
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| Title: | Cell-based and computational toxicity profiling of thiourea and imine derivatives in Acanthamoeba sp. as environmental bioindicators for potential optoelectronic applications. |
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| Authors: | Manisekaran, Thivyan1 (AUTHOR), Khairul, Wan M.1 (AUTHOR) wmkhairul@umt.edu.my, Mohd Rashid, Nur Amirah Nabilah1 (AUTHOR), Musa, Fariq Zulfaqar1 (AUTHOR), Tuan Johari, Syed Ahmad Tajudin2 (AUTHOR), Razali, Siti Aisyah3 (AUTHOR), Hashim, Fatimah1,3 (AUTHOR) fatimah.h@umt.edu.my, Mohammed, Mas1 (AUTHOR), Rahamathullah, Rafizah4 (AUTHOR), Syahrul Fahmy, Amira Nabiha Najwa1,5 (AUTHOR) |
| Source: | Chemosphere. Apr2026, Vol. 399, pN.PAG-N.PAG. 1p. |
| Subjects: | Acanthamoeba, Bioindicators, Cytotoxins, Single-strand DNA breaks, Semiconductors, Molecular docking, Imine derivatives, Molecules |
| Abstract: | Acanthamoeba sp., a sensitive yet underutilised environmental bioindicator, was utilised to evaluate the toxicity of two emerging hybrid moieties, AN6C and F-2a, with potential applications in optoelectronic materials. This study highlights implications for future safety, ecological monitoring, and environmental health assessment of the two hybrid moieties. The structures were confirmed by spectroscopic analysis, namely FTIR, 1D NMR, and UV-visible analysis. The HOMO-LUMO gaps of these compounds are below 4 eV, indicating their semiconducting properties. Additionally, the presence of the (-CH N-) moiety in AN6C , as well as the presence of carbonyl (C O) and thiocarbonyl (C S) groups in F-2a , reveals a good binding capacity in inhibiting cell growth. A cytotoxicity screening was conducted using the MTT assay to examine dose-response activities based on the IC 50 values obtained. Thiourea (F-2a) exhibits an IC 50 value of 24.32 μg/mL, while imine (AN6C) shows a significantly lower IC 50 value of 0.4589 μg/mL. Post-treatment cell morphology and cytoplasmic biochemical changes, assessed through light and fluorescence microscopy, revealed rounded and floating encystment phases, yellowish-orange granulation within the cells, and burst-open plasma membranes, indicating the presence of autophagy and necrosis. The DNA laddering assay indicated that DNA fragmentation occurred at 1100, 900, and 100 bp after treatment with both compounds. Analysis of mitochondrial membrane potential (MMP) by flow cytometry demonstrated that F-2a and AN6C produced 20.6% and 16% disruption of the MMP, respectively. Molecular docking simulation was conducted on the profilin protein of Acanthamoeba sp., profilin II (PDB ID: 2ACG), a small cytoskeletal protein that binds to actin and is required for normal actin cytoskeleton function. F-2a exhibited a docking score of −6.2 kcal/mol, indicating high binding affinity, and interacted with 12 amino acid residues compared to AN6C , which showed a docking score of −3.4 kcal/mol and interacted with nine amino acid residues of the 2ACG protein. These findings were evaluated to generate hypotheses regarding the roles and effects of the hybrid moieties and their conjugated functional groups at cellular, molecular, and in silico levels on eukaryotic microorganisms that are sensitive to environmental change. [Display omitted] • Thiourea (F-2a) and imine (AN6C) was assessed as semiconductor materials towards optoelectronic prospective. • The thiourea derivative F-2a demonstrated lower toxicity than the imine derivative AN6C against Acanthamoeba cells. • Cytoplasmic observations revealed that treatment with both F-2a and AN6C induced encystment and necrotic-like morphology. • Genomic analysis confirmed DNA fragmentation following treatment with both compounds. [ABSTRACT FROM AUTHOR] |
| Copyright of Chemosphere is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 192379410 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Cell-based and computational toxicity profiling of thiourea and imine derivatives in Acanthamoeba sp. as environmental bioindicators for potential optoelectronic applications. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Manisekaran%2C+Thivyan%22">Manisekaran, Thivyan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Khairul%2C+Wan+M%2E%22">Khairul, Wan M.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> wmkhairul@umt.edu.my</i><br /><searchLink fieldCode="AR" term="%22Mohd+Rashid%2C+Nur+Amirah+Nabilah%22">Mohd Rashid, Nur Amirah Nabilah</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Musa%2C+Fariq+Zulfaqar%22">Musa, Fariq Zulfaqar</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Tuan+Johari%2C+Syed+Ahmad+Tajudin%22">Tuan Johari, Syed Ahmad Tajudin</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Razali%2C+Siti+Aisyah%22">Razali, Siti Aisyah</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Hashim%2C+Fatimah%22">Hashim, Fatimah</searchLink><relatesTo>1,3</relatesTo> (AUTHOR)<i> fatimah.h@umt.edu.my</i><br /><searchLink fieldCode="AR" term="%22Mohammed%2C+Mas%22">Mohammed, Mas</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Rahamathullah%2C+Rafizah%22">Rahamathullah, Rafizah</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Syahrul+Fahmy%2C+Amira+Nabiha+Najwa%22">Syahrul Fahmy, Amira Nabiha Najwa</searchLink><relatesTo>1,5</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Chemosphere%22">Chemosphere</searchLink>. Apr2026, Vol. 399, pN.PAG-N.PAG. 1p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Acanthamoeba%22">Acanthamoeba</searchLink><br /><searchLink fieldCode="DE" term="%22Bioindicators%22">Bioindicators</searchLink><br /><searchLink fieldCode="DE" term="%22Cytotoxins%22">Cytotoxins</searchLink><br /><searchLink fieldCode="DE" term="%22Single-strand+DNA+breaks%22">Single-strand DNA breaks</searchLink><br /><searchLink fieldCode="DE" term="%22Semiconductors%22">Semiconductors</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+docking%22">Molecular docking</searchLink><br /><searchLink fieldCode="DE" term="%22Imine+derivatives%22">Imine derivatives</searchLink><br /><searchLink fieldCode="DE" term="%22Molecules%22">Molecules</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Acanthamoeba sp., a sensitive yet underutilised environmental bioindicator, was utilised to evaluate the toxicity of two emerging hybrid moieties, AN6C and F-2a, with potential applications in optoelectronic materials. This study highlights implications for future safety, ecological monitoring, and environmental health assessment of the two hybrid moieties. The structures were confirmed by spectroscopic analysis, namely FTIR, 1D NMR, and UV-visible analysis. The HOMO-LUMO gaps of these compounds are below 4 eV, indicating their semiconducting properties. Additionally, the presence of the (-CH N-) moiety in AN6C , as well as the presence of carbonyl (C O) and thiocarbonyl (C S) groups in F-2a , reveals a good binding capacity in inhibiting cell growth. A cytotoxicity screening was conducted using the MTT assay to examine dose-response activities based on the IC 50 values obtained. Thiourea (F-2a) exhibits an IC 50 value of 24.32 μg/mL, while imine (AN6C) shows a significantly lower IC 50 value of 0.4589 μg/mL. Post-treatment cell morphology and cytoplasmic biochemical changes, assessed through light and fluorescence microscopy, revealed rounded and floating encystment phases, yellowish-orange granulation within the cells, and burst-open plasma membranes, indicating the presence of autophagy and necrosis. The DNA laddering assay indicated that DNA fragmentation occurred at 1100, 900, and 100 bp after treatment with both compounds. Analysis of mitochondrial membrane potential (MMP) by flow cytometry demonstrated that F-2a and AN6C produced 20.6% and 16% disruption of the MMP, respectively. Molecular docking simulation was conducted on the profilin protein of Acanthamoeba sp., profilin II (PDB ID: 2ACG), a small cytoskeletal protein that binds to actin and is required for normal actin cytoskeleton function. F-2a exhibited a docking score of −6.2 kcal/mol, indicating high binding affinity, and interacted with 12 amino acid residues compared to AN6C , which showed a docking score of −3.4 kcal/mol and interacted with nine amino acid residues of the 2ACG protein. These findings were evaluated to generate hypotheses regarding the roles and effects of the hybrid moieties and their conjugated functional groups at cellular, molecular, and in silico levels on eukaryotic microorganisms that are sensitive to environmental change. [Display omitted] • Thiourea (F-2a) and imine (AN6C) was assessed as semiconductor materials towards optoelectronic prospective. • The thiourea derivative F-2a demonstrated lower toxicity than the imine derivative AN6C against Acanthamoeba cells. • Cytoplasmic observations revealed that treatment with both F-2a and AN6C induced encystment and necrotic-like morphology. • Genomic analysis confirmed DNA fragmentation following treatment with both compounds. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Chemosphere is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.chemosphere.2026.144891 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 1 StartPage: N.PAG Subjects: – SubjectFull: Acanthamoeba Type: general – SubjectFull: Bioindicators Type: general – SubjectFull: Cytotoxins Type: general – SubjectFull: Single-strand DNA breaks Type: general – SubjectFull: Semiconductors Type: general – SubjectFull: Molecular docking Type: general – SubjectFull: Imine derivatives Type: general – SubjectFull: Molecules Type: general Titles: – TitleFull: Cell-based and computational toxicity profiling of thiourea and imine derivatives in Acanthamoeba sp. as environmental bioindicators for potential optoelectronic applications. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Manisekaran, Thivyan – PersonEntity: Name: NameFull: Khairul, Wan M. – PersonEntity: Name: NameFull: Mohd Rashid, Nur Amirah Nabilah – PersonEntity: Name: NameFull: Musa, Fariq Zulfaqar – PersonEntity: Name: NameFull: Tuan Johari, Syed Ahmad Tajudin – PersonEntity: Name: NameFull: Razali, Siti Aisyah – PersonEntity: Name: NameFull: Hashim, Fatimah – PersonEntity: Name: NameFull: Mohammed, Mas – PersonEntity: Name: NameFull: Rahamathullah, Rafizah – PersonEntity: Name: NameFull: Syahrul Fahmy, Amira Nabiha Najwa IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 04 Text: Apr2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 00456535 Numbering: – Type: volume Value: 399 Titles: – TitleFull: Chemosphere Type: main |
| ResultId | 1 |
