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In silico Search for Tubulin Polymerization Inhibitors

  • Structural Functional Analysis Of Biopolymers and Their Complexes
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Abstract

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.

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Abbreviations

CBS:

Colchicine Binding Site

CID:

Compound Identifier

FMF:

Familial Mediterranean Fever

ICM:

Internal Coordinates Mechanics

MAPs:

Microtubule-Associated Proteins

SAR:

Structure-Activity Relationships

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Authors and Affiliations

  1. Russian–Armenian University, Yerevan, 0051, Armenia

    H. K. Sahakyan, G. G. Arakelov & K. B. Nazaryan

  2. Institute of Molecular Biology, National Academy of Sciences of the Republic of Armenia, Yerevan, 0014, Armenia

    H. K. Sahakyan, G. G. Arakelov & K. B. Nazaryan

Authors
  1. H. K. Sahakyan
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  2. G. G. Arakelov
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  3. K. B. Nazaryan
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Correspondence to H. K. Sahakyan.

Additional information

Published in Russian in Molekulyarnaya Biologiya, 2018, Vol. 52, No. 4, pp. 699–704.

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Sahakyan, H.K., Arakelov, G.G. & Nazaryan, K.B. In silico Search for Tubulin Polymerization Inhibitors. Mol Biol 52, 604–608 (2018). https://doi.org/10.1134/S0026893318040179

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  • DOI: https://doi.org/10.1134/S0026893318040179

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