1. Identification of novel benzothiazole-thiadiazole-based thiazolidinone derivative: in vitro and in silico approaches to develop promising anti-Alzheimer's agents.
- Author
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Khan S, Hussain R, Iqbal T, Khan Y, Jamal U, Darwish HW, and Adnan M
- Subjects
- Humans, Structure-Activity Relationship, Thiazolidines chemistry, Thiazolidines pharmacology, Thiazolidines chemical synthesis, Molecular Structure, Acetylcholinesterase metabolism, Cholinesterase Inhibitors chemistry, Cholinesterase Inhibitors pharmacology, Cholinesterase Inhibitors chemical synthesis, Amyloid beta-Peptides antagonists & inhibitors, Amyloid beta-Peptides metabolism, Alzheimer Disease drug therapy, Alzheimer Disease metabolism, Thiadiazoles chemistry, Thiadiazoles pharmacology, Thiadiazoles chemical synthesis, Benzothiazoles chemistry, Benzothiazoles pharmacology, Benzothiazoles antagonists & inhibitors, Benzothiazoles chemical synthesis, Molecular Docking Simulation
- Abstract
Aim: The present study describes benzothiazole derived thiazolidinone based thiadiazole derivatives ( 1-16 ) as anti-Alzheimer agents. Materials & methods: Synthesis of benzothiazole derived thiazolidinone based thiadiazole derivatives was achieved using the benzothiazole bearing 2-amine moiety. These synthesized compounds were confirmed via spectroscopic techniques (
1 H NMR,13 C NMR and HREI-MS). These compounds were biologically evaluated for their anti-Alzheimer potential. Binding interactions with proteins and drug likeness of the analogs were explored through molecular docking and ADMET analysis, respectively. In the novel series, compound- 3 emerged as the most potent inhibitor when compared with other derivatives of the series. Conclusion: The present study provides potent anti-Alzheimer's agents that can be further optimized to discover novel anti-Alzheimer's drugs.- Published
- 2024
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