The unit was disbanded in 2018. It is part of the unit Laboratory of proteolytic enzyme chemistry.

Group of combinatorial methods for constructing biocatalysts


All publications (show selected)


Ivan Smirnov

  • Russia, Moscow, Ul. Miklukho-Maklaya 16/10 — On the map
  • IBCh RAS, build. БОН, office. 520
  • Phone: +7(495)9955557
  • E-mail:

Generation of enantioselective bioscavengers based on antibodies.

In collaboration with Laboratory of biocatalysis

In the framework of the study of catalytic antidotes based on antibodies, an algorithm for predicting mutants capable of selectively interacting with (R) and (S) isomers of PCT was proposed.


  1. Golovin AV, Smirnov IV, Stepanova AV, Zalevskiy AO, Zlobin AS, Ponomarenko NA, Belogurov AA, Knorre VD, Hurs EN, Chatziefthimiou SD, Wilmanns M, Blackburn GM, Khomutov RM, Gabibov AG (2017). Evolution of catalytic centers of antibodies by virtual screening of broad repertoire of mutants using supercomputer. Dokl Biochem Biophys 475 (1), 245–249

Development of ultrahigh-throughput method for screening of catalytic activity. Validation.

In collaboration with Laboratory of biocatalysis

The research is aimed at the search and creation of catalytic biological antidotes. To find new catalytic antidotes based on butyrylcholinesterase, a panel of libraries of the active center of BuChE was created. The library of 284-288 loop was successfully used to validate the method of ultrahigh-throughput screening of biocatalytic activity in droplets of a microfluidic emulsion. The obtained results, together with the developed quantum-mechanical algorithm for calculating the dephosphorylation step of covalent BChE-paraoxon complex, made it possible to create an optimized library for the BChE RKH-4 yeast display, representing 1 * 10 ^ 6 variants.


  1. Terekhov SS, Smirnov IV, Stepanova AV, Bobik TV, Mokrushina YA, Ponomarenko NA, Belogurov AA, Rubtsova MP, Kartseva OV, Gomzikova MO, Moskovtsev AA, Bukatin AS, Dubina MV, Kostryukova ES, Babenko VV, Vakhitova MT, Manolov AI, Malakhova MV, Kornienko MA, Tyakht AV, Vanyushkina AA, Ilina EN, Masson P, Gabibov AG, Altman S (2017). Microfluidic droplet platform for ultrahigh-throughput single-cell screening of biodiversity. Proc Natl Acad Sci U S A 114 (10), 2550–2555