Nadeem_2024_Future.Med.Chem__1

Reference

Title : Synthesis, DFT, ADMET and molecular docking studies of thiazole derived thiazolidinone-based chalcone derivatives: alzheimer's disease current therapies - Nadeem_2024_Future.Med.Chem__1
Author(s) : Nadeem MS , Khan JA , Kazmi I , Moglad E , Afzal M , Alzarea SI , Rahim F , Khan S , Muhammad K , Gupta G
Ref : Future Med Chem , :1 , 2024
Abstract :

AIM: Nitrogen and sulfur-containing compounds are the core components utilized for synthesis of different heterocyclic moieties. METHODS & RESULTS: In this research, a series of new analogues containing thiazolidinone have been synthesized (1-20) 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: Analog 5 (IC(50) = 1.2 +/- 0.1 microM and 1.8 +/- 0.2 microM) exhibit excellent inhibition in comparison with the standard drug donepezil in view of inhibiting Alzheimer's disease.

PubMedSearch : Nadeem_2024_Future.Med.Chem__1
PubMedID: 39628307

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Citations formats

Nadeem MS, Khan JA, Kazmi I, Moglad E, Afzal M, Alzarea SI, Rahim F, Khan S, Muhammad K, Gupta G (2024)
Synthesis, DFT, ADMET and molecular docking studies of thiazole derived thiazolidinone-based chalcone derivatives: alzheimer's disease current therapies
Future Med Chem :1

Nadeem MS, Khan JA, Kazmi I, Moglad E, Afzal M, Alzarea SI, Rahim F, Khan S, Muhammad K, Gupta G (2024)
Future Med Chem :1