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The reactions of 1,4(1,5)-diazido-9,10anthracenediones with phenylacetylene and methyl propiolate under copper(I)-catalyzed reaction of the azidealkyne cycloaddition conditions have been studied and a series of new 1,2,3-triazole derivatives of 9,10anthracendione have been obtained. The computer screening of synthesized compounds was carried out using the PASS Online software to identify areas of experimental biomedical researches. Compounds with high affinity to the receptors family of tyrosine kinases of the epidermal growth factor EGFR have been found among the newly synthesized 1,2,3-triazoles of 9,10anthracenedione using molecular docking. The results of molecular docking indicate a probable mechanism for the realization of antitumor activity.

The New 1,2,3-Triazolylantracene-9,10-Diones: Synthesis and ComputerBioactivity Screening