The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species
Background: As the nicotinamide adenine dinucleotide phosphate (NADPH) is the key natural electron generator of the alive cells, investigation of the possibility of inactivation or even destruction of it by hazardous chemical molecules or ions seems to be very important. Methods: Due to this, in thi...
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Mazandaran University of Medical Sciences and Health Services
2022-11-01
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| Series: | Research in Molecular Medicine |
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| Online Access: | http://rmm.mazums.ac.ir/article-1-509-en.pdf |
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| author | Seyyed Amir Siadati Mohammad Ali Ebrahimzadeh Esmaeil Babazadeh |
| author_facet | Seyyed Amir Siadati Mohammad Ali Ebrahimzadeh Esmaeil Babazadeh |
| author_sort | Seyyed Amir Siadati |
| collection | DOAJ |
| description | Background: As the nicotinamide adenine dinucleotide phosphate (NADPH) is the key natural electron generator of the alive cells, investigation of the possibility of inactivation or even destruction of it by hazardous chemical molecules or ions seems to be very important.
Methods: Due to this, in this project, the behavior of NADPH in the presence of some chemical species containing Fe(II) ion, arsine, phosphoric acid, and some low weight alcohols have been investigated by using the density functional theory (DFT) method.
Results: Comparison of the results of the potential energy surface (PES) study showed that adsorption of methanol, ethanol, normal propanol, H3PO4, arsine and Fe(II) ion by NADPH release -23.19 kcal mol-1, -23.03 kcal mol-1, -23.30 kcal mol-1, -35.04 kcal mol-1, -53.03 kcal mol-1, and -161.59 kcal mol-1 energy, respectively.
Conclusion: It indicates that absorption, and even destruction of NADPH by a free Fe(II) ion is very favorable in view of thermodynamics. Somehow, such energy release could make this process irreversible. Also, the geometrical results show that during the adsorption of iron ion by the NADPH, the phosphate bridge breaks and the molecule decompose in two different parts. |
| format | Article |
| id | doaj-art-603a287998464631b26bc0a4c191fcea |
| institution | DOAJ |
| issn | 2322-1348 2322-133X |
| language | English |
| publishDate | 2022-11-01 |
| publisher | Mazandaran University of Medical Sciences and Health Services |
| record_format | Article |
| series | Research in Molecular Medicine |
| spelling | doaj-art-603a287998464631b26bc0a4c191fcea2025-08-20T03:11:59ZengMazandaran University of Medical Sciences and Health ServicesResearch in Molecular Medicine2322-13482322-133X2022-11-01104215224The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous SpeciesSeyyed Amir Siadati0Mohammad Ali Ebrahimzadeh1Esmaeil Babazadeh2 Pharmaceutical Sciences Research Center, Hemoglobinopathy Institute, Mazandaran University of Medical Sciences, Sari, Iran. Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences Research Center, Mazandaran University of Medical Sciences, Sari, Iran. Department of Environmental Health, Faculty of Health, Mazandaran University of Medical Sciences, Sari, Iran. Background: As the nicotinamide adenine dinucleotide phosphate (NADPH) is the key natural electron generator of the alive cells, investigation of the possibility of inactivation or even destruction of it by hazardous chemical molecules or ions seems to be very important. Methods: Due to this, in this project, the behavior of NADPH in the presence of some chemical species containing Fe(II) ion, arsine, phosphoric acid, and some low weight alcohols have been investigated by using the density functional theory (DFT) method. Results: Comparison of the results of the potential energy surface (PES) study showed that adsorption of methanol, ethanol, normal propanol, H3PO4, arsine and Fe(II) ion by NADPH release -23.19 kcal mol-1, -23.03 kcal mol-1, -23.30 kcal mol-1, -35.04 kcal mol-1, -53.03 kcal mol-1, and -161.59 kcal mol-1 energy, respectively. Conclusion: It indicates that absorption, and even destruction of NADPH by a free Fe(II) ion is very favorable in view of thermodynamics. Somehow, such energy release could make this process irreversible. Also, the geometrical results show that during the adsorption of iron ion by the NADPH, the phosphate bridge breaks and the molecule decompose in two different parts.http://rmm.mazums.ac.ir/article-1-509-en.pdfnadphiron overloadarsinefree fe(ii)decompositiondensity functional theory |
| spellingShingle | Seyyed Amir Siadati Mohammad Ali Ebrahimzadeh Esmaeil Babazadeh The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species Research in Molecular Medicine nadph iron overload arsine free fe(ii) decomposition density functional theory |
| title | The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species |
| title_full | The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species |
| title_fullStr | The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species |
| title_full_unstemmed | The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species |
| title_short | The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species |
| title_sort | possibility of destruction of cellular nadph in the presence of free fe ii ion arsine and other hazardous species |
| topic | nadph iron overload arsine free fe(ii) decomposition density functional theory |
| url | http://rmm.mazums.ac.ir/article-1-509-en.pdf |
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