Ethanoanthracene cycloadducts (5â??7) anti, (5â??7) syn, and (5â??7) dec have been synthesized\nfrom the Dielsâ??Alder (DA) reaction of diene 1,8-dichloroanthracene 2, with the dienophiles;\nacrylonitrile 3, 1-cynavinyl acetate 4, and phenyl vinyl sulfone 5, individually. The steric effect of\ndienophile substituents were more favorable toward the anti-isomer formation as deduced from\n1H-NMR spectrum. The cheminformatics prediction for (5â??7) anti and (5â??7) syn was investigated.\nThe in silico anticipated anti-depression activity of the (5â??7) anti and (5â??7) syn compounds were\ninvestigated and compared to maprotiline 9 as reference anti-depressant drug. The study showed that\nsteric interactions play a crucial role in the binding affinity of these compounds to the representative\nmodels; 4xnx, 2QJU, and 3GWU. The pharmacokinetic and drug-like properties of (5â??7) anti and\n(5â??7) syn exhibited that these compounds could be represented as potential candidates for further\ndevelopment into antidepressant-like agents.
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