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(searched for: (10.5155/eurjchem.12.3.235-241.2106))
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Published: 30 September 2021
European Journal of Chemistry, Volume 12, pp 235-241; https://doi.org/10.5155/eurjchem.12.3.235-241.2106

Abstract:
The reaction between 5-nitroisatin with S-benzyl dithiocarbazate affords a new isatindithio carbazate so-called NO2Isadtc (Benzyl 2-(5-nitro-2-oxoindolin-3-ylidene)hydrazinecarbodi thioate) which was characterized by means of 1H NMR, FT-IR, UV-visible and single crystal X-ray diffraction - Crystal data for C16H12N4O3S2 (M =372.42 g/mol): triclinic space group P-1, (n°. 02), a = 6.640 Å, b = 8.256 Å, c = 15.908 Å, V = 849.6 Å3, Z = 2, T = 293 K, μ(MoKα) = 0.337 mm-1, Dcalc = 1.456 g/cm3, 27515 reflections measured (2.499° ≤ 2Θ ≤ 26.524°), 3518 unique (Rint = 0.0533, Rsigma =0.0222) which were used in all calculations. The final R1 was 0.0367 (I > 2σ(I)) and wR2 was 0.1045 (all data). Computational methods were applied to NO2Isadtc and its nonsubstituted parent compound Isadtc for structure optimization, electronic distribution, and infrared calculations using B3LYP functional with 6-31G(d,p) basis set in ethanol as a polarizable continuum model. Furthermore, docking studies using human thioredoxin reductase 1 (TrxR) as enzyme target also were performed using NO2Isadtc and the optimized structure of Isadtc. The results demonstrated that both NO2Isadtc and Isadtc may act as inhibitors of TrxR, having different interactions detected, highlighting the contact between the NO2 group and the S111 at the helix which is found for NO2Isadtc.
Huang Yuanyuan, Bai Fang, Gao Guowei, Men Jian
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Riya Dattaa, Ramya Vittalacharya, Bubbly S Gudennavar
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Ikram Dhouib, Philippe Guionneau, Stanislav Pechev, Tahar Mhiri, Zakaria Elaoud
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S. Saeed, N. Rashid, P. Jones, R. Hussain
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E.A. El-Sawi, T.B. Mostafa, H.A. Radwan
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A. Saeed, H. Rafique, U. Florke
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Z.Z. Donia, H. Boughzala, A. Driss
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A. Saeed, A. Mumtaz, U. Florke
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J.N. Low, L.M.N.B.F. Santos, C.F.R.A.C. Lima, P. Brandao, L.R. Gomes
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John Nicholson Low
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M.A. Mohamed, E.K.A. Abdelall, Y.H. Zaki, A.O. Abdelhamid
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M.A. El-Apasery, S.M. Al-Mousawi, M.H. Elnagdi
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G. Binzet, U. Florke, N. Kulcu, H. Arslan
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A. Hameed, A. Anwar, S. Yousaf, K.M. Khan, F.Z. Basha
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A. Hameed, A. Anwar, S. Yousaf, K.M. Khan, F.Z. Basha
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G. Binzet, U. Florke, N. Kulcu, H. Arslan
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M. Ziaulla, M.N. Manjunatha, K.R. Nagasundra, N.S. Begum
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S. Saeed, N. Rashid, M. Ali, R. Hussain, P. Jones
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Vitor H. Rodrigues, Maria M. R. R. Costa, Etelvina M. Gomes, Dmitry Isakov, Michael S. Belsley
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Susma Das, Shilpika Khanikar, Shunan Kaping, Jayanti Datta Roy, Arnab Sen, Philippe Helissey
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Kazuki Ogata, Atsushi Nagasawa, Noriyuki Yonezawa, Akiko Okamoto
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Anastasiia M. Mishura, Anna S. Sklyarova, Dmitriy I. Sharapa, Igor’ A. Levandovsky, Michael Serafin, Andrey A. Fokin, Vladimir N. Rodionov
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Ikram Dhouib, Philippe Guionneau, Tahar Mhiri, Zakaria Elaoud
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Federica Castriconi, Marco Paolino, Germano Giuliani, Maurizio Anzini, Giuseppe Campiani, Laura Mennuni, Chiara Sabatini, Marco Lanza, Gianfranco Caselli, Francesca De Rienzo, et al.
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Masaki Ichitani, Soh-Ichi Kitoh, Keiko Tanaka, Shuhei Fujinami, Mitsuhiro Suda, Mitsunori Honda, Akio Kuwae, Kazuhiko Hanai, Ko-Ki Kunimoto
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Iryna O. Lebedyeva, Sean M. Sileno, Kunal Patel, Ion Ghivririga, Peter J. Steel, Alan R. Katritzky
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K. Ramalingam, R. Thiruneelakandan, G. Bocelli, L. Righi
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Z. Repicka, M. Puchonova, L. Husarikova, J. Moncol, M. Koman, M. Mazur, D. Valigura
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M. Ghandi, P. Asgari, A. Taheri, A. Abbasi
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Patrick Ferland, Kathleen E. Prosser, Jeremy L. Bourque, Ian C. Edwards, Nathan S. Hamilton, Lori E. Joyce, Mathew C. Finniss, Scott R. Yorke, Christopher M. Vogels, Frédéric-Georges Fontaine, et al.
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Patrick Ferland, Kathleen E. Prosser, Jeremy L. Bourque, Ian C. Edwards, Nathan S. Hamilton, Lori E. Joyce, Mathew C. Finniss, Scott R. Yorke, Christopher M. Vogels, Frédéric-Georges Fontaine, et al.
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Andrii Vakulka, Evgeny Goreshnik
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Andrii Vakulka, Evgeny Goreshnik
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E.S. Aazam, M.P. Coles
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K.A. Al-Farhan, I. Warad, S.I. Al-Resayes, M.M. Fouda, M. Ghazzali
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J.L.S. Doimeadios
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S. Saeed, N. Rashid, P.G. Jones, R. Hussain, M.H. Bhatti
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W. Ginzinger, V.B. Arion, G. Giester, M. Galanski, B.K. Keppler
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P.T. Todorov, R.N. Petrova, E.D. Naydenova, B.L. Shivachev
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Agnieszka Chylewska, Artur Sikorski, Aleksandra Dąbrowska, Lech Chmurzyński
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M. Toma, A. Sanchez, M.S. Gracia-Tasende, J.S. Casas, J. Sordo, E.E. Castellano, J. Ellena
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M. Toma, A. Sanchez, M.S. Gracia-Tasende, J.S. Casas, J. Sordo, E.E. Castellano, J. Ellena
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Yu.M. Chumakov, Yu.A. Simonov, M. Grozav, M. Crisan, G. Bocelli, A.A. Yakovenko, D. Lyubetsky
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Yu.M. Chumakov, Yu.A. Simonov, M. Grozav, M. Crisan, G. Bocelli, A.A. Yakovenko, D. Lyubetsky
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M. Sladkovicova, P. Mach, L. Smrcok, H. Rundlof
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A. Ahmedova, M.G.F. Vaz, S. Ciattini, G. Gochev, A. Caneschi, M. Mitewa
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M. Toma, A. Sanchez, J.S. Casas, J. Sordo, M.S. Garcia-Tasende, E.E. Castellano, J. Ellena, I. Berdan
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Matthew Wood, Ivan Bernal, Roger Lalancette
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