Nugmanov Ramil

Education:

  • Higher education (2006-2011): Kazan Federal University, A.M. Butlerov Institute of Chemistry

  • Master in Chemoinformatics (2012-2014): Kazan Federal University, A.M. Butlerov Institute of Chemistry

  • PhD in Organic chemistry (2011-2014): A.E. Arbuzov Institute of Organic and Physical Chemistry, Kazan

Experience:

  • Jun. 2011 – Jun. 2014: Researcher. Calixarenes Chemistry Lab. A.E. Arbuzov Institute of Organic and Physical Chemistry. 8 Arbuzov street, Kazan 420088, Russian Federation

    • Synthesis

    • Structure analysis

    • Reactions mechanisms quantum-chemical studying

  • Jun. 2014 – present: Senior Researcher. Chemoinformatics and Molecular Modeling Lab. Kazan Federal University. 18 Kremlyovskaya street, Kazan 420008, Russian Federation

    • Chemoinformatics

  • Jun. 2019 - present: Associate Professor. Organic chemistry department. Kazan Federal University. 18 Kremlyovskaya street, Kazan 420008, Russian Federation

Achievments:

  • Participating in Grants of Russian Scientific Fond (2014 - 2018), (2019 - current)

  • Participating in Grant of Russian and Czech Scientific Funds for joint research (2018- 2020)

Projects:

  • Open-source chemoimnformatics toolkit CGRtools

  • CIMtools (toolkit for reactions and molecules properties modeling)

  • CGRdb (cartridge for reaction data storage)

Publications:

  • Stepanov, A. Alkyl-malonate-substituted thiacalix[4]arenes as ligands for bottom-up design of paramagnetic Gd(III)-containing colloids with low cytotoxicity / A. Stepanov, I. Nizameev, R. Amirov, S. Kleshnina, G. Khakimullina, S. Solovieva, A. Voloshina, A. Strobykina, A. Gubaidullin, R. Nugmanov, A. Mustafina // Arabian Journal of Chemistry. – 2020. – V. 13, Is. 1. – P. 453–463. [doi] (cited By 2).

  • Gimadiev, T.R. Sydnone-alkyne cycloaddition: Which factors are responsible for reaction rate ? / T.R. Gimadiev, O. Klimchuk, R.I. Nugmanov, T.I. Madzhidov, A. Varnek // Journal of Molecular Structure. – 2019. – V. 1198. [doi] (cited By 0).

  • Nugmanov, R.I. CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing / R.I. Nugmanov, R.N. Mukhametgaleev, T. Akhmetshin, T.R. Gimadiev, V.A. Afonina, T.I. Madzhidov, A. Varnek // Journal of Chemical Information and Modeling. – 2019. – V. 59, Is. 6. – P. 2516–2521. [doi] (cited By 0).

  • Gimadiev, T. Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis / T. Gimadiev, T. Madzhidov, I. Tetko, R. Nugmanov, I. Casciuc, O. Klimchuk, A. Bodrov, P. Polishchuk, I. Antipin, A. Varnek // Molecular Informatics. – 2019. – V. 38, Is. 4. [doi] (cited By 2).

  • Zankov, D.V. Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules / D.V. Zankov, T.I. Madzhidov, A. Rakhimbekova, T.R. Gimadiev, R.I. Nugmanov, M.A. Kazymova, I.I. Baskin, A. Varnek // Journal of Chemical Information and Modeling. – 2019. [doi] (cited By 0).

  • Glavatskikh, M. Predictive Models for Kinetic Parameters of Cycloaddition Reactions / M. Glavatskikh, T. Madzhidov, D. Horvath, R. Nugmanov, T. Gimadiev, D. Malakhova, G. Marcou, A. Varnek // Molecular Informatics. – 2019. – V. 38, Is. 1. [doi] (cited By 2).

  • Glavatskikh, M. Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria / M. Glavatskikh, T. Madzhidov, I.I. Baskin, D. Horvath, R. Nugmanov, T. Gimadiev, G. Marcou, A. Varnek // Molecular Informatics. – 2018. – V. 37, Is. 9. [doi] (cited By 3).

  • Burilov, V.A. Synthesis of new p-tert-butylcalix[4]arene-based polyammonium triazolyl amphiphiles and their binding with nucleoside phosphates / V.A. Burilov, G.A. Fatikhova, M.N. Dokuchaeva, R.I. Nugmanov, D.A. Mironova, P.V. Dorovatovskii, V.N. Khrustalev, S.E. Solovieva, I.S. Antipin // Beilstein Journal of Organic Chemistry. – 2018. – V. 14. – P. 1980–1993. [doi] (cited By 4).

  • Madzhidov, T.I. Prediction of Aromatic Hydroxylation Sites for Human CYP1A2 Substrates Using Condensed Graph of Reactions / T.I. Madzhidov, A.A. Khakimova, R.I. Nugmanov, C. Muller, G. Marcou, A. Varnek // BioNanoScience. – 2018. – V. 8, Is. 1. – P. 384–389. [doi] (cited By 1).

  • Gimadiev, T.R. Assessment of tautomer distribution using the condensed reaction graph approach / T.R. Gimadiev, T.I. Madzhidov, R.I. Nugmanov, I.I. Baskin, I.S. Antipin, A. Varnek // Journal of Computer-Aided Molecular Design. – 2018. – V. 32, Is. 3. – P. 401–414. [doi] (cited By 4).

  • Ovsyannikov, A.S. Photoswitchable supramolecular systems based on carboxyl derivatives of thiacalix[4]arene and their complexes with Zn(II) and Tb(III) ions / A.S. Ovsyannikov, Z.V. Akhmetzyanova, G.R. Allahverdilli, R.I. Nugmanov, S.E. Solovieva, I.S. Antipin, A.I. Konovalov // Macroheterocycles. – 2018. – V. 11, Is. 2. – P. 173–180. [doi] (cited By 0).

  • Tutubalina, E.V. Using semantic analysis of texts for the identification of drugs with similar therapeutic effects / E.V. Tutubalina, Z.S. Miftahutdinov, R.I. Nugmanov, T.I. Madzhidov, S.I. Nikolenko, I.S. Alimova, A.E. Tropsha // Russian Chemical Bulletin. – 2017. – V. 66, Is. 11. – P. 2180–2189. [doi] (cited By 2).

  • Polishchuk, P. Structure–reactivity modeling using mixture-based representation of chemical reactions / P. Polishchuk, T. Madzhidov, T. Gimadiev, A. Bodrov, R. Nugmanov, A. Varnek // Journal of Computer-Aided Molecular Design. – 2017. – V. 31, Is. 9. – P. 829–839. [doi] (cited By 7).

  • Madzhidov, T.I. Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach / T.I. Madzhidov, T.R. Gimadiev, D.A. Malakhova, R.I. Nugmanov, I.I. Baskin, I.S. Antipin, A.A. Varnek // Journal of Structural Chemistry. – 2017. – V. 58, Is. 4. – P. 650–656. [doi] (cited By 3).

  • Burilov, V.A. Detection of sulfate surface-active substances via fluorescent response using new amphiphilic thiacalix[4]arenes bearing cationic headgroups with Eosin Y dye / V.A. Burilov, D.A. Mironova, R.R. Ibragimova, R.I. Nugmanov, S.E. Solovieva, I.S. Antipin // Colloids and Surfaces A: Physicochemical and Engineering Aspects. – 2017. – V. 515. – P. 41–49. [doi] (cited By 11).

  • Burilov, V.A. Unusual reactivity of aliphatic and aromatic amines with bromoalkyl derivatives of thiacalix[4]arene in 1,3-alternate stereoisomeric form / V.A. Burilov, R.R. Ibragimova, B.H. Gafiatullin, R.I. Nugmanov, S.E. Solovieva, I.S. Antipin // Macroheterocycles. – 2017. – V. 10, Is. 2. – P. 215–220. [doi] (cited By 2).

  • Lin, A.I. Automatized assessment of protective group reactivity: A step toward big reaction data analysis / A.I. Lin, T.I. Madzhidov, O. Klimchuk, R.I. Nugmanov, I.S. Antipin, A. Varnek // Journal of Chemical Information and Modeling. – 2016. – V. 56, Is. 11. – P. 2140–2148. [doi] (cited By 13).

  • Madzhidov, T.I. Structure-reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction / T.I. Madzhidov, A.V. Bodrov, T.R. Gimadiev, R.I. Nugmanov, I.S. Antipin, A.A. Varnek // Journal of Structural Chemistry. – 2015. – V. 56, Is. 7. – P. 1227–1234. [doi] (cited By 10).

  • Burilov, V.A. Effect of copper(I) on the conformation of the thiacalixarene platform in azide-alkyne cycloaddition / V.A. Burilov, R.R. Ibragimova, R.I. Nugmanov, R.R. Sitdikov, D.R. Islamov, O.N. Kataeva, S.E. Solov’eva, I.S. Antipin // Russian Chemical Bulletin. – 2015. – V. 64, Is. 9. – P. 2114–2124. [doi] (cited By 5).

  • Murav’Ev, A.A. Synthesis and structure of lower rim-substituted alkynyl derivatives of thiacalix[4]arene / A.A. Murav’Ev, F.B. Galieva, A.G. Strel’Nik, R.I. Nugmanov, M. Grüner, S.E. Solov’Eva, S.K. Latypov, I.S. Antipin, A.I. Konovalov // Russian Journal of Organic Chemistry. – 2015. – V. 51, Is. 9. – P. 1334–1342. [doi] (cited By 6).

  • Burilov, V.A. ‘Click chemistry’ in the synthesis of new amphiphilic 1,3-alternate thiacalixarenes / V.A. Burilov, R.I. Nugmanov, R.R. Ibragimova, S.E. Solovieva, I.S. Antipin // Mendeleev Communications. – 2015. – V. 25, Is. 3. – P. 177–179. [doi] (cited By 22).

  • Nugmanov, R.I. Development of “structure-property” models in nucleophilic substitution reactions involving azides / R.I. Nugmanov, T.I. Madzhidov, G.R. Khaliullina, I.I. Baskin, I.S. Antipin, A.A. Varnek // Journal of Structural Chemistry. – 2014. – V. 55, Is. 6. – P. 1026–1032. [doi] (cited By 10).

  • Burilov, V.A. Bifunctional derivatives of (Thia)calix[4]arenes with terminal double and triple bonds: Synthesis and azide-alkyne click reactions / V.A. Burilov, R.I. Nugmanov, E.V. Popova, I.R. Nabiullin, S.E. Soloviev, I.S. Antipin, A.I. Konovalov // Macroheterocycles. – 2014. – V. 7, Is. 1. – P. 10–17. [doi] (cited By 4).

  • Madzhidov, T.I. Structure-reactivity relationships in terms of the condensed graphs of reactions / T.I. Madzhidov, P.G. Polishchuk, R.I. Nugmanov, A.V. Bodrov, A.I. Lin, I.I. Baskin, A.A. Varnek, I.S. Antipin // Russian Journal of Organic Chemistry. – 2014. – V. 50, Is. 4. – P. 459–463. [doi] (cited By 14).

  • Burilov, V.A. Microwave-assisted Alkylation of p-tert-butylcalix[4]arene Lower Rim: The Effect of Alkyl Halides / V.A. Burilov, R.I. Nugmanov, R.R. Ibragimova, S.E. Solovieva, I.S. Antipin, A.I. Konovalov // Mendeleev Communications. – 2013. – V. 23, Is. 2. – P. 113–115. [doi] (cited By 9).