Computational Notes on the Chemical Stability of Flutamide
M.A.M. El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaOsama OsmanMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptAbdel Aziz MahmoudMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptHanan ElhaesPhysics Department, Faculty of Women for Arts, Science and Education, Ain Shams University, 11757 Cairo, EgyptA El DinAlaa El-Din A. GawadBiophysics and Laser Science Unit, Research Institute of Ophthalmology, 2, Al-Ahram St, Giza 12111, EgyptMedhat IbrahimMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptM El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaM El-BanaS FouadM El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaH SolimanM IbrahimMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptM El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaS AtefM IbrahimMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptM El-NahassM KamelA El-BarbaryB WagnerM El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaM El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaM HassanM MostafaM El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaM IsmailM IbrahimMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptN SalehW ElshemeyA ElsayedM IbrahimMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptN SalehW ElshemeyA ElsayedE SmallR DackerD OrnsteinG RaoB JohnsonE CharltonG AndrioleL Boccon-GibodG FournierP BottetJ MarechalJ GuiterP RischmanJ HubertJ SoretP ManginC MalloC FraysseC MahlerJ VerhelstL DenisF VargasC RivasH MndezA FuentesG FraileM VelsquezR KashimshettyV DesaiV KaleT LeeC MolandW BranhamL NewE ChanH YounisU BoelsterliR CrownoverJ HollandA ChenR KriegB YoungM RoachK FuP LangenstroerH PorterD McleodJ ThrasherD Martinovi-WeigeltR WangD VilleneuveD BencicJ LazorchakG AnkleyA RajakumarR SinghS ChakrabartyR MurugananthkumarC LaldinsangiY PrathibhaC SudhakumariA Dutta-GuptaB SenthilkumaranM El-MansyCondensed Matter Theory Group, Department of Physics, College of Science and Arts, Qassim University, ArRass, 51921, Saudi ArabiaO OsmanMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, EgyptA MahmoudMolecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., 12622 Dokki, Giza, Egypt
2020en
ABI
Аннотация
In spite of the side effects of Flutamide drug, it is still shows potential use to treat protease cancer as it belongs to anti-androgens (anti-testosterone) drugs. Density functional theory at B3LYP/6-31g(d,p) level is utilized to estimate the chemical stability of the drug in different media. Accordingly, SCRF default method is utilized to study geometry and physical parameters under the effect of Aniline, Benzene, Acetone, Chloroform, Ethanol, Methanol, Heptane, DMSO, Diethyl-ester, Dichloro-methane, Dichloro-ethane, Cyclohexane, CCl4, Water, Toluene and THF respectively. Computational results show that except methanol, solvents show no change in the geometrical and/or physical parameters, which an indication for the chemical and physical stability of the drug in different chemical interactions in terms of the effect of organic solvents upon the drug.
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