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Synthesis, DFT, ADMET and molecular docking studies of thiazole derived thiazolidinone-based chalcone derivatives: alzheimer’s disease current therapies

Year: 2024
Type: article
Abstract: AIM: Nitrogen and sulfur-containing compounds are the core components utilized for synthesis of different heterocyclic moieties. METHODS & RESULTS: in order to evaluate their activity against acetylcholinesterase and butyrylcholinesterase. Potent analogues were further subjected for molecular docking in order to study their protein-ligand interactions. The highly active analogues were also subjected for DFT, which confirmed the binding properties, electrical properties, and nature with the targeted enzyme. ADMET analysis also confirms the druglikeness properties of the synthesized series. CONCLUSION: µM) exhibit excellent inhibition in comparison with the standard drug donepezil in view of inhibiting Alzheimer's disease.
DOI: 10.1080/17568919.2024.2421158
Authors: Muhammad Shahid Nadeem, Jalaluddin Azam Khan, Imran Kazmi, Ehssan Moglad, Muhammad Afzal, Sami I. Alzarea, Fazal Rahim, Shoaib Khan, Khushi Muhammad, Gaurav Gupta
Institutions: King Abdulaziz University, Prince Sattam Bin Abdulaziz University, Batterjee Medical College, Jouf University, Hazara University, Abbottabad University of Science and Technology, Saveetha University
Language: English
Subfield: Pharmacology
Field: Medicine
Open Access status: green
OpenAlex ID: W4405010911
FWCI: 0.955
Cites: 37
Cited by: 4
Related to: 10