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- Title
Molecular docking, synthesis and biological evaluation of phenacyl derivatives of 9-aminoacridine as anti-Alzheimer's agent.
- Authors
Munawar, Rabya; Mushtaq, Nousheen; Ahmad, Ahsaan; Saeed, Syed Muhammad Ghufran; Usmani, Saman; Akhtar, Shamim; Saify, Z. S.; Arif, Muhammad; Akram, Arifa
- Abstract
Alzheimer's disease (AD) is a multifactorial neurodegenerative disorder mainly characterized by progressive deterioration of memory and impaired cognitive function. The most promising approach for symptomatic relief of AD is to inhibit acetylcholinesterase (AChE). On the basis of this approach in-house library of 9-aminoacridine derivatives were constructed and allowed to docked against human acetylcholinesterase (hAChE) (PDB ID: 4EY7), using MOE 2018.01 and PyRx 0.9.2 (AutoDock Vina). Top ranked and best fitted molecules were synthesized by targeting the 9-amino group of aminoacridine with substituted phenacyl halides. Anti-Alzheimer's potential was checked by in vitro AChE inhibition, antioxidant activity (DPPH scavenging ability) and fibril disaggregation. Subjected ligands suggested as promising multitargeted candidate with pronounced results in term of IC50 values (AChE inhibition 2.400-26.138μM), however, none of them showed potential towards fibril inhibition.
- Subjects
BIOSYNTHESIS; ACETYLCHOLINESTERASE; MOLECULAR docking; ALZHEIMER'S disease
- Publication
Pakistan Journal of Pharmaceutical Sciences, 2020, Vol 33, Issue 2, p659
- ISSN
1011-601X
- Publication type
Article
- DOI
10.36721/PJPS.2020.33.2.REG.659-668.1