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Cholesteryl ester transfer protein(CETP) is a plasma glycoprotein that plays an important role in decreasing high-density lipoprotein cholesterol(HDL-C) levels and increasing low-density lipoprotein cholesterol(LDL-C) levels.Inhibition of CETP may be a new therapy for treating atherosclerosis.Herein,we report the development of a ligand-based pharmacophore model and pharmacophore-based virtual screening of the ZINC/big-n-greasy database,leading to the identification of compound H-10 as a potential CETP inhibitor in vitro.Based on H-10,a series of 3-((3,4-dichlorophenyl)(4-substituted benzyl)amino) propanamides were designed,synthesized,and evaluated against CETP.Compound 41was found to have the best activity,resulting in 85.0%inhibition of CETP at 10 μmol/L.
Cholesteryl ester transfer protein (CETP) is a plasma glycoprotein that plays an important role in decreasing high-density lipoprotein cholesterol (HDL-C) levels and increasing low-density lipoprotein cholesterol (LDL-C) levels. therapy for treating atherosclerosis. Herein, we report the development of a ligand-based pharmacophore model and pharmacophore-based virtual screening of the ZINC / big-n-greasy database, leading to the identification of compound H-10 as a potential CETP inhibitor in vitro.Based on H-10, a series of 3 - ((3,4-dichlorophenyl) (4-substituted benzyl) amino) propanamides were designed, synthesized, and evaluated against CETP. Compound 41 was found to have the best activity, resulting in 85.0% inhibition of CETP at 10 μmol / L.