Nghiên cứu DFT về thuốc chống trầm cảm sertraline hydrochloride

Gobin V, Van Steendam K, Denys D, Deforce D (2014) Selective serotonin reuptake inhibitors as a novel class of immunosuppressants. Int Immunopharmacol 20(1):148–156 Ashbury JE, Lévesque LE, Beck PA, Aronson KJ (2012) Selective serotonin reuptake inhibitor (SSRI) antidepressants, prolactin and breast cancer. Front Oncol 2:177 Serebruany VL, Glassman AH, Malinin AI, Nemeroff CB, Musselman DL, Van Zyl LT, Finkel MS et al (2003) Platelet/endothelial biomarkers in depressed patients treated with the selective serotonin reuptake inhibitor sertraline after acute coronary events: the Sertraline AntiDepressant Heart Attack Randomized Trial (SADHART) Platelet Substudy. Circ 108(8):939–944 Tariq A, Nazir S, Arshad AW, Nawaz F, Ayub K, Iqbal J (2019) DFT study of the therapeutic potential of phosphorene as a new drug-delivery system to treat cancer. RSC advances 9(42):24325–24332 Bashi M, Aliabad HA, Samsami M (2021) Comparative studies of C7H10N2 pyridine and C7H10N2S pyrrole for optoelectronic applications by mBJ approach. J Mol Model 27(9):1–10 Rahnamaye Aliabad HA, Chahkandi M (2017) Comprehensive SPHYB and B3LYP-DFT studies of two types of ferrocene. Zeitschrift für anorganische und allgemeine Chemie 643(6):420–431 Rahnamaye Aliabad HA, Tayebee R, BoroumandKhalili M (2016) Ab initio studies of optoelectronic properties of fluorine-substituted ferrocene. Res Chem Intermed 42(4):3743–3761 Azadparvar M, Aliabad HR, Rezaei-Seresht E, Mirzaei M (2022) Effect of fluorine substitution on the photobiological and electronic properties of resveratrol crystal structure: a first-principles study. J Photochem Photobiol A: Chem 429:113941 Azadparvar M, Kheirabadi M, Aliabad HA (2022) Fluorinated derivatives of tetrahydroaltersolanol molecule on COVID-19, HIV, and HTLV protease by DFT and molecular docking approaches. J Mol Model 28(11):1–18 Hosseini SM, Rahnamaye Aliabad HA, Kompany A (2005) First-principles study of the optical properties of pure α-Al2O3 and La aluminates. Eur Phys J B-Condens Matter Complex Syst 43(4):439–444 Blaha P, Schwarz K, Tran F, Laskowski R, Madsen GK, Marks LD (2020) WIEN2k: an APW+ lo program for calculating the properties of solids. J Chem Phys 152(7):074101 Xiao C, Ma K, Cai G, Zhang X, Vessally E (2020) Borophene as an electronic sensor for metronidazole drug: a computational study. J Mol Graph Model 96:107539 Peukert S, Nunez J, He F, Dai M, Yusuff N, DiPesa A, Miller-Moslin K et al (2011) A method for estimating the risk of drug-induced phototoxicity and its application to smoothened inhibitors. MedChemComm 2(10):973–976 Marinho ES, Marinho MM (2016) A DFT study of synthetic drug topiroxostat: MEP, HOMO, LUMO. Int J Sci Eng Res 7(8):1264 Kumer A, Sarker MN, Sunanda P (2019) The simulating study of HOMO, LUMO, thermo physical and quantitative structure of activity relationship (QSAR) of some anticancer active ionic liquids. Eurasian J Environ Res 3(1):1–10 Tavakoli S, Ahmadi SA, Ghazanfari D, Sheikhhosseini E (2022) Theoretical investigation of functionalized fullerene nano carrier drug delivery of fluoxetine. J Indian Chem Soc 99(7):100561 JamaladdinEmamjomeKoohbanani S, Ahmadi SA, Ghazanfari D, Sheikhhosseini E (2022) Adsorption of Citalopram on C60 nanocage as anti-depression drug carriers. J Appl Chem Res 16(2):8–18 Robertson DW, Jones ND, Swartzendruber JK, Yang KS, Wong DT (1988) olecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor. J Med Chem 31(1):185–189 de Diego HL, Bond AD, Dancer RJ (2011) Formation of solid solutions between racemic and enantiomeric citalopram oxalate. Chirality 23(5):408–416 Wang C, Duscher G, Paddison SJ (2014) Electron energy loss spectroscopy of polytetrafluoroethylene: experiment and first principles calculations. Microsc 63(1):73–83 Penn DR. (1962) Wave-number-dependent dielectric function of semiconductors. Phys. Rev. 128(5): 2093 Akbari-Hasanjani HR, Sohrabi MR, Abdolmaleki P (2015) Resolving spectra overlapping based on net analyte signal for simultaneous spectrophotometric determination of fluoxetine and sertraline. Anal Bioanal Chem Res 2(1):31–41 Maślanka A, Hubicka U, Krzek J, Walczak M, Izworski G (2013) Determination of fluoxetine in the presence of photodegradation products appearing during UVA irradiation in a solid phase by chromatographic-densitometric method, kinetics and identification of photoproducts. Acta Chromatogr 25(3):465–481 Kulkarni AA, Satbhai A, Raut S, Katkar R, Kulkarni SD, Kulkarni PA (2015) Spectrophotometric estimation of citalopram and nortriptyline in pharmaceutical dosage form. Int J Pharm Pharm Res, Human J 4(4):104–111 Escudero GE, Curotto VF, Laino CH, Diez RP, Williams PA (2013) and FerrerEG “Sertraline and its iodine product: experimental and theoretical vibrational studies: potential in vitro anti-thyroid activity of sertraline and iodine product toxicity with respect to male Wistar rats.” Spectrochim Acta Part A Mol Biomol Spectrosc 104:271–279 Walash MI, Belal F, El-Enany N, El-Mansi H (2010) Spectrophotometric determination of the antidepressants sertraline and paroxetine HCl using 2, 4-dinitrofluorobenzene. Int J Biomed Sci: IJBS 6(3):252