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Vol 52(2018) N 4 p. 604-608; DOI 10.1134/S0026893318040179 Full Text

H.K. Sahakyan1,2*, G.G. Arakelov1,2, K.B. Nazaryan1,2**

In silico Search for Tubulin Polymerization Inhibitors

1Russian-Armenian University, Yerevan, 0051 Armenia
2Institute of Molecular Biology, National Academy of Sciences of the Republic of Armenia, Yerevan, 0014 Armenia

*sahakyanhk@gmail.com
**karen.nazaryan@rau.am
Received - 2017-09-13; Accepted - 2018-01-28

Cytostatic colchicine is widely used in the treatment of Familial Mediterranean fever, but it has several side effects. For finding new, more effective drugs with higher affinity and diminishside effects we carried out virtual screening of potential inhibitors of the main target of colchicine, the polymerization of tubulin by evaluating affinity 25745 compounds, structurally related to the colchicine. We have identified 11 commercially available compounds with higher affinity to tubulin. Compounds with highest binding scores include trimethoxybenzene and its derivatives; these compounds bind to the same site in similar orientation. Information provided can form the basis for design of new cytostatics.

virtual ligand screening, colchicine binding site, tubulin inhibitors



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