Structural insights into PKS13 Thioesterase inhibitors targeting Mycobacterium tuberculosis for drug-resistant tuberculosis therapy: Identification, stability assessment, and pharmacophore modeling

Structural insights into PKS13 Thioesterase inhibitors targeting Mycobacterium tuberculosis for drug-resistant tuberculosis therapy: Identification, stability assessment, and pharmacophore modeling

Mycobacterium tuberculosis is the causative agent of tuberculosis, which remains a challenge in health worldwide due to the increase in strains resistant to most of the drugs used in its treatment. The study targeted a novel therapeutic target: the thioesterase domain of Polyketide Synthase 13, a ke...

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Main Authors: Zia Ur Rehman, Hassan A. Alhazmi, Mohammed Albratty, Abdullah Algaissi, Hafiz A. Makeen, Asim Najmi, Khalid Zoghebi, Sivakumar S. Moni, Siddig Ibrahim Abdelwahab, Manal Mohamed Elhassan Taha, Asaad Khalid, Magbool Essa Oraiby, Ibrahim Ahmed Bokar
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Results in Chemistry
Subjects:
Tuberculosis
Polyketide synthase 13
Thioesterase
Molecular dynamics
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625003716
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