相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。IN SILICO DRUG EVALUATION AND DRUG RESEARCH OF BIOACTIVE MOLECULE METHYL 4-BROMO-2-FLUOROBENZOATE
Maria JULİE et al.
Ankara Universitesi Eczacilik Fakultesi Dergisi (2021)
Vibrational spectra and Wavefunction investigation for antidepressant drug of Amoxapine based on quantum computational studies
S. Sarala et al.
Chemical Data Collections (2021)
Experimental and DFT studies on 2′,4′-dihydroxychalcone, a product isolated from Zuccagnia punctata Cav. (Fabaceae) medicinal plant
Fernanda Corrales Chahar et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Molecular structure conformational analyses, solvent-electronic studies through theoretical studies and biological profiling of (2E)-1-(3-bromo-2-thienyl)-3-(4-chlorophenyl)-prop-2-en-1-one
A. Thamarai et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Molecular structure interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV-Vis, HOMO-LUMO and NLO) properties and biological evaluation of (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl) prop-2-en-1-one: Experimental and computational modeling approach
A. Thamarai et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)
The Surge After the Surge: Cardiac Surgery Post-COVID-19
Rawn Salenger et al.
ANNALS OF THORACIC SURGERY (2020)
Quantum chemical and X-ray diffraction studies of (E)-3-(((3,4-dimethoxybenzyl)imino)methyl)benzene-1,2-diol
Serap Uzun et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies
M. Habib Rahuman et al.
HELIYON (2020)
Structural properties and vibrational analysis of Potassium 5-Br-2-isonicotinoyltrifluoroborate salt. Effect of Br on the isonicotinoyl ring
Maximiliano A. Iramain et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential
Renjith Thomas et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
DFT, molecular docking and experimental FT-IR, FT-Raman, NMR inquisitions on 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine: Alpha-2-imidazoline receptor agonist antihypertensive agent
S. Aayisha et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
Spectroscopic (FT-IR, FT-Raman, NMR and UV-Vis), ELF, LOL, NBO, and Fukui function investigations on (5-bromo-benzofuran-3-yl)-acetic acid hydrazide (5BBAH): Experimental and theoretical approach
Seema S. Khemalapure et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
Highly sensitive spectrofluorimetric method for rapid determination of orciprenaline in biological fluids and pharmaceuticals
F. A. Ibrahim et al.
LUMINESCENCE (2019)
Spectroscopic investigation, hirshfeld surface analysis and molecular docking studies on anti-viral drug entecavir
B. Fathima Rizwana et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Spectroscopic (FT-IR, FT Raman) and quantum mechanical study on N-(2,6-dimethylpheny1)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl)acetamide
Jacob George et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Synthesis, spectroscopic characterization and structural study of 2-isopropenyl-3-methylphenol, carquejiphenol, a carquejol derivative with potential medicinal use
Manuel Minteguiaga et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Quantum computational studies, spectroscopic (FT-IR, FT-Raman and UV-Vis) profiling, natural hybrid orbital and molecular docking analysis on 2,4 Dibromoaniline
Christina Susan Abraham et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Structural and vibrational study of a neurotransmitter molecule: Dopamine [4-(2-aminoethyl) benzene-1,2-diol]
Omkant Jha et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2018)
A structural and spectroscopic study on carquejol, a relevant constituent of the medicinal plant Baccharis trimera (Less.) DC. (Asteraceae)
Manuel Minteguiaga et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Elaborated molecular docking and DFT/B3LYP studies for novel sulfa drug complexes, spectral and antitumor investigations
Fawaz A. Saad
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2017)
Crystal structure of rac-4-[2-(tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate
Wenju Liu et al.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS (2017)
Spectral investigations, DFT computations and molecular docking studies of the antimicrobial 5-nitroisatin dimer
T. Joselin Beaula et al.
CHEMICAL PHYSICS LETTERS (2015)
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
Christopher A. Lipinski et al.
ADVANCED DRUG DELIVERY REVIEWS (2012)
Agonist-Directed Desensitization of the β2-Adrenergic Receptor
Vasiliy Goral et al.
PLOS ONE (2011)
Disruption of methylarginine metabolism impairs vascular homeostasis
James Leiper et al.
NATURE MEDICINE (2007)