Integrated density functional theory, molecular docking, and pharmacokinetic modeling of mukonal and its derivatives as inhibitors of the Plasmodium falciparum TFIIH complex (Tfb5 subunit).
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| Title: | Integrated density functional theory, molecular docking, and pharmacokinetic modeling of mukonal and its derivatives as inhibitors of the Plasmodium falciparum TFIIH complex (Tfb5 subunit). |
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| Authors: | Kamal MA; Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia. azharkamal.psau@gmail.com., Helmi N; Department of Biochemistry, College of Science, University of Jeddah, Jeddah, Saudi Arabia. nmhelmi@uj.edu.sa., Rahmani M; Department of Biotechnology College of Commerce, Arts & Science, Patliputra University, Kankar Bagh, Patna-800020, Bihar, India. mahjabeenazhar43@gmail.com., Abdussami G; Biocatalysis and Enzyme Engineering Laboratory, Department of Biochemistry, School of Life Sciences, University of Hyderabad, Prof. C.R. Rao Road, Gachibowli, Hyderabad, PIN-500046 Telangana, India. ghufranaasami@gmail.com., Mohammad I; Department of Basic Medical Science, College of Medicine, Prince Sattam Bin Abdul Aziz University, Al-Kharj, Saudi Arabia. imran.mohammad9@gmail.com., Warsi MK; Department of Biological Sciences, College of Science, University of Jeddah, Jeddah, Saudi Arabia. mwarsi@uj.edu.sa., Aldawsari MF; Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia. mohammedfad@gmail.com. |
| Source: | Cellular and molecular biology (Noisy-le-Grand, France) [Cell Mol Biol (Noisy-le-grand)] 2026 Mar 31; Vol. 72 (3), pp. 54-62. Date of Electronic Publication: 2026 Mar 31. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: C.M.B. Association Country of Publication: France NLM ID: 9216789 Publication Model: Electronic Cited Medium: Internet ISSN: 1165-158X (Electronic) Linking ISSN: 01455680 NLM ISO Abbreviation: Cell Mol Biol (Noisy-le-grand) Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 42322572 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Integrated density functional theory, molecular docking, and pharmacokinetic modeling of mukonal and its derivatives as inhibitors of the Plasmodium falciparum TFIIH complex (Tfb5 subunit). – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Kamal+MA%22">Kamal MA</searchLink>; Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia. azharkamal.psau@gmail.com.<br /><searchLink fieldCode="AU" term="%22Helmi+N%22">Helmi N</searchLink>; Department of Biochemistry, College of Science, University of Jeddah, Jeddah, Saudi Arabia. nmhelmi@uj.edu.sa.<br /><searchLink fieldCode="AU" term="%22Rahmani+M%22">Rahmani M</searchLink>; Department of Biotechnology College of Commerce, Arts & Science, Patliputra University, Kankar Bagh, Patna-800020, Bihar, India. mahjabeenazhar43@gmail.com.<br /><searchLink fieldCode="AU" term="%22Abdussami+G%22">Abdussami G</searchLink>; Biocatalysis and Enzyme Engineering Laboratory, Department of Biochemistry, School of Life Sciences, University of Hyderabad, Prof. C.R. Rao Road, Gachibowli, Hyderabad, PIN-500046 Telangana, India. ghufranaasami@gmail.com.<br /><searchLink fieldCode="AU" term="%22Mohammad+I%22">Mohammad I</searchLink>; Department of Basic Medical Science, College of Medicine, Prince Sattam Bin Abdul Aziz University, Al-Kharj, Saudi Arabia. imran.mohammad9@gmail.com.<br /><searchLink fieldCode="AU" term="%22Warsi+MK%22">Warsi MK</searchLink>; Department of Biological Sciences, College of Science, University of Jeddah, Jeddah, Saudi Arabia. mwarsi@uj.edu.sa.<br /><searchLink fieldCode="AU" term="%22Aldawsari+MF%22">Aldawsari MF</searchLink>; Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia. mohammedfad@gmail.com. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%229216789%22">Cellular and molecular biology (Noisy-le-Grand, France)</searchLink> [Cell Mol Biol (Noisy-le-grand)] 2026 Mar 31; Vol. 72 (3), pp. 54-62. <i>Date of Electronic Publication: </i>2026 Mar 31. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22C%2EM%2EB%2E+Association%22">C.M.B. Association </searchLink><i>Country of Publication: </i>France <i>NLM ID: </i>9216789 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1165-158X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2201455680%22">01455680 </searchLink><i>NLM ISO Abbreviation: </i>Cell Mol Biol (Noisy-le-grand) <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=42322572 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.14715/cmb/2025.72.3.7 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 54 Titles: – TitleFull: Integrated density functional theory, molecular docking, and pharmacokinetic modeling of mukonal and its derivatives as inhibitors of the Plasmodium falciparum TFIIH complex (Tfb5 subunit). Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Kamal MA – PersonEntity: Name: NameFull: Helmi N – PersonEntity: Name: NameFull: Rahmani M – PersonEntity: Name: NameFull: Abdussami G – PersonEntity: Name: NameFull: Mohammad I – PersonEntity: Name: NameFull: Warsi MK – PersonEntity: Name: NameFull: Aldawsari MF IsPartOfRelationships: – BibEntity: Dates: – D: 31 M: 03 Text: 2026 Mar 31 Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 1165-158X Numbering: – Type: volume Value: 72 – Type: issue Value: 3 Titles: – TitleFull: Cellular and molecular biology (Noisy-le-Grand, France) Type: main |
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