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Hassan, Mubashir,Abbasi, Muhammad Athar,Aziz-ur-Rehman, Muhammad Athar,Siddiqui, Sabahat Zahra,Shahzadi, Saba,Raza, Hussain,Hussain, Ghulam,Shah, Syed Adnan Ali,Ashraf, Muhamamd,Shahid, Muhammad,Seo, Academic Press 2019 Bioorganic chemistry Vol.91 No.-
<P><B>Abstract</B></P> <P>In the designed research work, a series of 2-furoyl piperazine based sulfonamide derivatives were synthesized as therapeutic agents to target the Alzheimer’s disease. The structures of the newly synthesized compounds were characterized through spectral analysis and their inhibitory potential was evaluated against butyrylcholinesterase (BChE). The cytotoxicity of these sulfonamides was also ascertained through hemolysis of bovine red blood cells. Furthermore, compounds were inspected by Lipinki Rule and their binding profiles against BChE were discerned by molecular docking. The protein fluctuations in docking complexes were recognized by dynamic simulation. From our <I>in vitro</I> and <I>in silico</I> results <B>5c</B>, <B>5j</B> and <B>5k</B> were identified as promising lead compounds for the treatment of targeted disease.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Sulfonamide derivatives were synthesized as therapeutic agents to target the Alzheimer’s disease. </LI> <LI> The inhibitory potential of newly synthesized compounds were evaluated against butyrylcholinesterase (BChE). </LI> <LI> The cytotoxicity of these sulfonamides was also ascertained through hemolysis of bovine red blood cells. </LI> <LI> Computational analysis was performed to check their binding profile against target protein. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>