Abstract
A series of biological active compounds 1–14 have been synthesized and used as potential inhibitors for AChE and BuChE. Potential inhibitor efficacy of these molecules to the target enzymes have been searched in vitro and theoretical by dock and molecular dynamic calculations. The results show that chiral amino alcohol compounds 6, 7 and 9 exhibited good value for medication scores. Among the tested compounds the best inhibition activities have been obtained with compounds 6 for AChE and BuChE by 87.68 and 92.46 % values, respectively at 50µg/mL concentration. The anticipated value of 6 also justified superb correlation with invitro statistics and it could be taken into consideration as drug candidate molecule for designing of novel drug. Potential inhibitory outcomes of those molecules on the right track proteins were investigated the use of Docking and Molecular Dynamics calculations. Dock score evaluation and Lipinski parameters have been proven those ligands are ability inhibitors against applicable enzymes. Our findings endorse that related compounds can be applied as a capacity supply of anti-alzheimer active molecules for designing novel products.
Cyclic phosphatidic acid derivative is a novel drug candidate for multiple sclerosis
