Molecular Docking and Recent Advances in the Design and Development of Cholinesterase Inhibitor Scaffolds: Coumarin Hybrids

By:Hasan, AH (Hasan, Aso Hameed)[ 1,2 ] ; Amran, SI (Amran, Syazwani Itri)[ 3 ] ; Hussain, FHS (Hussain, Faiq Hama Saeed)[ 4 ] ; Jaff, BA (Jaff, Baram Ahmed)[ 5 ] ; Jamalis, J (Jamalis, Joazaizulfazli)[ 1 ] [ 1 ]‎ Univ Teknol Malaysia, Fac Sci, Dept Chem, Johor Baharu 81310, Johor, Malaysia [ 2 ]‎ Univ Garmian Kalar, Coll Sci, Dept Chem, Kalar, Kurdistan Regio, Iraq [ 3 ]‎ Univ Teknol Malaysia, Fac Sci, Dept Biosci, Johor Baharu 81310, Johor, Malaysia [ 4 ]‎ Tishk Int Univ, Res Ctr, Erbil, Kurdistan Regio, Iraq [ 5 ]‎ Charmo Univ, Charmo Res Ctr, Chem Dept, Chamchamal 46023, Kurdistan Regio, Iraq E-mail   Abstract Alzheimer is a deadly neurodegenerative disease that commonly attacks elderly people around the world. Therefore, this disease has drawn attention among the researchers to find new potent drugs to treat Alzheimer disease (AD) more efficiently. Coumarin containing scaffold is a potential AD agent. Coumarin hybrids are frequently used as a template to design novel therapeutic agent for the treatment of AD, which are designed based on using molecular docking. As a result of docking studies shown that coumarin cores can occupy PAS by making extensive hydrophobic interactions with the residues in that region (mainly Trp279, Tyr70, Tyr121, Asp72, Phe290, Trp84, Phe330). The present review compiles research literature on the recent design strategies of coumarin hybrids with anti-Alzheimer’s activities and outlined docking studies. Keywords Author Keywords:Alzheimer disease; Cholinesterase inhibitors; Coumarin; Molecular docking KeyWords Plus:BETA-AMYLOID AGGREGATION; MONOAMINE-OXIDASE B; ALZHEIMERS-DISEASE; ACETYLCHOLINESTERASE INHIBITORS; BIOLOGICAL EVALUATION; KNOEVENAGEL CONDENSATION; OXIDATIVE STRESS; IN-VITRO; 2H-CHROMEN-2-ONE DERIVATIVES; MULTIFUNCTIONAL AGENTS CHEMISTRYSELECT Volume: 4 Issue: 48 Pages: 14140-14156 DOI: 10.1002/slct.201903607 Published: DEC 30 2019 Document Type:Review CHEMISTRYSELECT Impact Factor 1.811     1.835 2019       5 year JCR® Category   Rank in Category              Quartile in Category CHEMISTRY, MULTIDISCIPLINARY             111 of 177            Q3 Data from the 2019 edition of Journal Citation Reports Publisher WILEY-V C H VERLAG GMBH, POSTFACH 101161, 69451 WEINHEIM, GERMANY ISSN: 2365-6549 Research Domain Chemistry