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(searched for: (10.5155/eurjchem.12.4.412-418.2135))
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European Journal of Chemistry, Volume 12, pp 412-418; https://doi.org/10.5155/eurjchem.12.4.412-418.2135

Abstract:
Benzodiazepines are widely used to treat anxiety, insomnia, agitation, seizures, and muscle spasms. It works through the GABAA receptors to promote sleep by inhibiting brainstem monoaminergic arousal pathways. It is safe and effective for short-term use, and arises some crucial side effects based on dose and physical condition. In this investigation, physicochemical properties, molecular docking, and ADMET properties have been studied. Density functional theory with B3LYP/6-311G+(d,p) level of theory was set for geometry optimization and elucidate their thermodynamic, orbital, dipole moment, and electrostatic potential properties. Molecular docking and interaction calculations have performed against human GABAA receptor protein (PDB ID: 4COF) to search the binding affinity and effective interactions of drugs with the receptor protein. ADMET prediction has performed to investigate their absorption, metabolism, and toxic properties. Thermochemical data suggest the thermal stability; the docking result predicts effecting bindings and ADMET calculation disclose non-carcinogenic and relatively harmless phenomena for oral administration of all drugs.
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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