Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations.
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| Title: | Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations. |
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| Authors: | Koyambo-Konzapa, Stève-Jonathan1 (AUTHOR) koyamboj@yahoo.fr, Vamhindi, Berthelot S. D. Ramlina2 (AUTHOR), Khudaykulov, Bekzod3 (AUTHOR), Sidhom, Peter A.4 (AUTHOR), Khan, Shahzeb5 (AUTHOR), Abdelbacki, Ashraf M. M.6 (AUTHOR), Abdelrahman, Alaa H. M.7 (AUTHOR), Ibrahim, Mahmoud A. A.7,8,9 (AUTHOR) m.ibrahim@compchem.net |
| Source: | PLoS ONE. 9/10/2025, Vol. 20 Issue 9, p1-26. 26p. |
| Database: | Academic Search Ultimate |
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| Header | DbId: asn DbLabel: Academic Search Ultimate An: 187861962 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Koyambo-Konzapa%2C+Stève-Jonathan%22">Koyambo-Konzapa, Stève-Jonathan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> koyamboj@yahoo.fr</i><br /><searchLink fieldCode="AR" term="%22Vamhindi%2C+Berthelot+S%2E+D%2E+Ramlina%22">Vamhindi, Berthelot S. D. Ramlina</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Khudaykulov%2C+Bekzod%22">Khudaykulov, Bekzod</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Sidhom%2C+Peter+A%2E%22">Sidhom, Peter A.</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Khan%2C+Shahzeb%22">Khan, Shahzeb</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Abdelbacki%2C+Ashraf+M%2E+M%2E%22">Abdelbacki, Ashraf M. M.</searchLink><relatesTo>6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Abdelrahman%2C+Alaa+H%2E+M%2E%22">Abdelrahman, Alaa H. M.</searchLink><relatesTo>7</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ibrahim%2C+Mahmoud+A%2E+A%2E%22">Ibrahim, Mahmoud A. A.</searchLink><relatesTo>7,8,9</relatesTo> (AUTHOR)<i> m.ibrahim@compchem.net</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22PLoS+ONE%22">PLoS ONE</searchLink>. 9/10/2025, Vol. 20 Issue 9, p1-26. 26p. |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=187861962 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1371/journal.pone.0330941 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 26 StartPage: 1 Titles: – TitleFull: Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Koyambo-Konzapa, Stève-Jonathan – PersonEntity: Name: NameFull: Vamhindi, Berthelot S. D. Ramlina – PersonEntity: Name: NameFull: Khudaykulov, Bekzod – PersonEntity: Name: NameFull: Sidhom, Peter A. – PersonEntity: Name: NameFull: Khan, Shahzeb – PersonEntity: Name: NameFull: Abdelbacki, Ashraf M. M. – PersonEntity: Name: NameFull: Abdelrahman, Alaa H. M. – PersonEntity: Name: NameFull: Ibrahim, Mahmoud A. A. IsPartOfRelationships: – BibEntity: Dates: – D: 10 M: 09 Text: 9/10/2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 19326203 Numbering: – Type: volume Value: 20 – Type: issue Value: 9 Titles: – TitleFull: PLoS ONE Type: main |
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