ReviewJournal of Taibah University Medical Sciences2025
Molecular docking and
Review in Journal of Taibah University Medical Sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
6 authors.
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Abstract
Objectives: Derivatives bearing thiazole groups are very important pharmacophores in medicinal chemistry due to their broad pharmacological properties. Benzothiazole is an important scaffold with a range of biological activities and therapeutic uses, including antibacterial, antimalarial, anticonvulsant, analgesic, anti-inflammatory, antidiabetic, and anticancer properties. In this study, we evaluated the Methods: The chemical structures of the derivatives were designed and optimized using MarvinSketch and Spartan software. Results: Four analogues (2, 5, 6, and 7) failed the blood-brain barrier (BBB) penetration test, but 11 of the 15 analogues had good pharmacokinetic characteristics. The validation results showed that the procedure employed was suitable for molecular docking analysis of the test analogues in the active sites of the two target proteins. Compared with the reference medication vigabatrin (-5.2 kcal/mol), seven analogues (A Conclusions:
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