The structure–activity relationship and computational studies of 1,3-thiazole derivatives as cholinesterase inhibitors with anti-inflammatory activity

Abstract

In our previous research, some screened 1,3-thiazole fragments were found to be potent by inhibiting LPS-induced TNFα and IL-8 release with IC 50 values in the µM range without cytotoxic activity. In the current study, 1,3-thiazole fragments were further investigated as potent cholinesterase inhibitors prompted by the previously documented anti-inflammatory effect of AChE inhibitors. Molecular docking enabled insight into stabilizing interactions between the selected thiazoles and the active site of AChE and BChE. According to these experimental results, the cholinesterase inhibitory and anti-inflammatory activity of 1,3-thiazoles were correlated and confirmed that the same compounds inhibited LPS-stimulated TNFα cytokine production in PBMCs and enzymes cholinesterases.

Novel Coumarin‐Pyrazole‐Thiazoles Hybrids: Synthesis, Anticancer Activity, Molecular Docking and In Silico ADMET prediction Studies

“…In addition, 1,3-thiazole compounds are found in many natural compounds, such as vitamin B1-thiamine, alkaloids, anabolic steroids and flavones as an essential scaffold. [23,24] Also, thiazole and its derivatives showed a broad range of medicinal uses including antioxidant, antibacterial, anticancer, anti-inflammatory, antifungal, antitumor, and antiurease. [25][26][27][28][29][30] The applications of some thiazole nucleus in many medicinal drugs are demonstrated in Figure 2.…”

“…Ruxolitinib and Crizotinib are some commercial antitumor drug‐based pyrazole which have recovered some cancer patients [22] (Figure 1). In addition, 1,3‐thiazole compounds are found in many natural compounds, such as vitamin B1‐thiamine, alkaloids, anabolic steroids and flavones as an essential scaffold [23,24] . Also, thiazole and its derivatives showed a broad range of medicinal uses including antioxidant, antibacterial, anticancer, anti‐inflammatory, antifungal, antitumor, and antiurease [25–30] .…”