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Discovery of novel dual-active 3-(4-(dimethylamino)phenyl)-7-aminoalcoxy-coumarin as potent and selective acetylcholinesterase inhibitor and antioxidant.

ABSTRACT: A series of 3-substituted-7-aminoalcoxy-coumarin was designed and evaluated as cholinesterase inhibitors and antioxidants. All compounds were effective in inhibiting AChE with potencies in the nanomolar range. The 3-(4-(dimethylamino)phenyl)-7-aminoethoxy-coumarin (6a) was considered a hit, showing good AChE inhibition potency (IC50?=?20?nM) and selectivity (IC50 BuChE/AChE?=?354), quite similar to the reference drug donepezil (IC50 = 6?nM; IC50 BuChE/AChE = 365), also presenting antioxidant properties, low citotoxicity and good-predicted ADMET properties. The mode of action (mixed-type) and SAR analysis for this series of compounds were described by means of kinetic and molecular modeling evaluations.

SUBMITTER: de Souza GA

PROVIDER: S-EPMC6366430 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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Discovery of novel dual-active 3-(4-(dimethylamino)phenyl)-7-aminoalcoxy-coumarin as potent and selective acetylcholinesterase inhibitor and antioxidant.

de Souza Gabriela Alves GA da Silva Soraia John SJ Del Cistia Catarina de Nigris CN Pitasse-Santos Paulo P Pires Lucas de Oliveira LO Passos Yulli Moraes YM Cordeiro Yraima Y Cardoso Cristiane Martins CM Castro Rosane Nora RN Sant'Anna Carlos Mauricio R CMR Kümmerle Arthur Eugen AE

Journal of enzyme inhibition and medicinal chemistry 20191201 1

A series of 3-substituted-7-aminoalcoxy-coumarin was designed and evaluated as cholinesterase inhibitors and antioxidants. All compounds were effective in inhibiting AChE with potencies in the nanomolar range. The 3-(4-(dimethylamino)phenyl)-7-aminoethoxy-coumarin (6a) was considered a hit, showing good AChE inhibition potency (IC50 = 20 nM) and selectivity (IC50 BuChE/AChE = 354), quite similar to the reference drug donepezil (IC50 = 6 nM; IC50 BuChE/ ...[more]

PMID: 30727776

Dataset Information

Discovery of novel dual-active 3-(4-(dimethylamino)phenyl)-7-aminoalcoxy-coumarin as potent and selective acetylcholinesterase inhibitor and antioxidant.

Publications

Discovery of novel dual-active 3-(4-(dimethylamino)phenyl)-7-aminoalcoxy-coumarin as potent and selective acetylcholinesterase inhibitor and antioxidant.

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