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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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Bibliographic Details
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).
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
Description
ISSN:1165-158X
DOI:10.14715/cmb/2025.72.3.7