Antihypotensive potency of p-synephrine: Spectral analysis, molecular properties and molecular docking investigation

[1]  W. Emori,et al.  Molecular Modeling of the Spectroscopic, Structural, and Bioactive Potential of Tetrahydropalmatine: Insight from Experimental and Theoretical Approach , 2022, Polycyclic Aromatic Compounds.

[2]  Adedapo S. Adeyinka,et al.  Antitubercolusic Potential of Amino-(formylphenyl) Diazenyl-Hydroxyl and Nitro-Substituted Naphthalene-Sulfonic Acid Derivatives: Experimental and Theoretical Investigations , 2022, Chemistry Africa.

[3]  Emna Jaziri,et al.  Synthesis, X-ray crystallography, molecular electronic property investigation, and leukopoiesis activity of novel 4,6-dimethyl-1,6-dihydropyridin-2-amino nitrate hybrid material , 2022, Journal of Molecular Structure.

[4]  E. Ejiofor,et al.  Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) Complexes of 6-Methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone , 2022, Chemical Physics Impact.

[5]  K. Adegoke,et al.  Photovoltaic properties of novel reactive azobenzoquinolines: experimental and theoretical investigations , 2022, Physical Sciences Reviews.

[6]  H. Louis,et al.  Structural Benchmarking, Density Functional Theory Simulation, Spectroscopic Investigation and Molecular Docking of N-(1H-pyrrol-2-yl) methylene)-4-methylaniline as Castration-Resistant Prostate Cancer Chemotherapeutic Agent. , 2022, Chemical Physics Impact.

[7]  M. Rybin,et al.  Multifunctional and Transformative Metaphotonics with Emerging Materials. , 2022, Chemical reviews.

[8]  M. M. Orosun,et al.  Experimental and computational modeling of the biological activity of benzaldehyde sulphur trioxide as a potential drug for the treatment of Alzheimer disease , 2022, Journal of the Indian Chemical Society.

[9]  E. Ejiofor,et al.  Spectroscopic (UV-vis, FT-IR, FT-Raman, and NMR) analysis, structural benchmarking, molecular properties, and the in-silico cerebral anti-ischemic activity of 2-amino-6-ethoxybenzothiazole , 2022, Journal of Molecular Structure.

[10]  A. Owen,et al.  Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies , 2022, Journal of Molecular Structure.

[11]  E. Ejiofor,et al.  Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment , 2022, Chemical Physics Impact.

[12]  P. Radhakrishnan,et al.  Effect of laser ablated gold nanoparticles on the nonlinear optical properties of π-extended BODIPY dyes , 2022, Journal of Photochemistry and Photobiology A: Chemistry.

[13]  T. Murugan,et al.  Growth, linear and nonlinear optical property and dielectric studies of an efficient organic ionic single crystal: 2-amino-5-methyl-pyridinium trifluoroacetate for optoelectronic devices , 2022, Indian Journal of Physics.

[14]  Adedapo S. Adeyinka,et al.  Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane , 2022, ACS omega.

[15]  W. Emori,et al.  Spectroscopic and molecular electronic property investigation of 2-phenylpyrimidine-4, 6-diamine via 1H-NMR, UV-vis, FT-Raman, FT-IR, and DFT approach , 2022, Journal of Molecular Structure.

[16]  B. Ita,et al.  Spectroscopic, conformational analysis, structural benchmarking, excited state dynamics, and the photovoltaic properties of Enalapril and Lisinopril , 2022, Journal of the Indian Chemical Society.

[17]  H. Louis,et al.  Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): Experimental and theoretical studies , 2022, Journal of Photochemistry and Photobiology.

[18]  W. Emori,et al.  Antispasmodic activity of carnosic acid extracted from Rosmarinus officinalis: Isolation, spectroscopic characterization, DFT studies, and in silico molecular docking investigations , 2022, Journal of Molecular Structure.

[19]  W. Emori,et al.  Analeptic activity of 2-Hydroxyl-5-Nitrobenzaldehyde: Experimental, DFT studies, and in silico molecular docking approach , 2022, Healthcare Analytics.

[20]  O. C. Enudi,et al.  Theoretical insight into electronic and molecular properties of halogenated (F, Cl, Br) and hetero-atom (N, O, S) doped cyclooctane , 2022, Materials Chemistry and Physics.

[21]  O. C. Enudi,et al.  Evaluation of the excited state dynamics, photophysical properties, and the influence of donor substitution in a donor-π\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \s , 2021, Journal of Molecular Modeling.

[22]  Diogo Santos-Martins,et al.  AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings , 2021, J. Chem. Inf. Model..

[23]  H. Louis,et al.  Synthesis, spectra (FT-IR, NMR) investigations, DFT study, in silico ADMET and Molecular docking analysis of 2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile as a potential anti-tubercular agent , 2021 .

[24]  O. C. Enudi,et al.  Aromaticity indices, electronic structural properties, and fuzzy atomic space investigations of naphthalene and its aza-derivatives , 2021, Heliyon.

[25]  A. A. Ayi,et al.  Experimental and density functional theory studies on the adsorption behavior of selected gas molecules on Mg(II) coordination polymer constructed with 1,3,5-benzenetricarboxylates , 2020, Journal of Molecular Structure.

[26]  T. He,et al.  Computational study on interactions between CO2 and (TiO2)n clusters at specific sites , 2019 .

[27]  B. Ranjbar,et al.  Renin inhibition by soyasaponin I: a potent native anti-hypertensive compound , 2018, Journal of biomolecular structure & dynamics.

[28]  Yang Shan,et al.  Canned Citrus Processing , 2016 .

[29]  W. Hendrickson,et al.  Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development. , 2015, Structure.

[30]  Walter A. Korfmacher,et al.  Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. , 2015, Bioorganic & medicinal chemistry letters.

[31]  E. Sturrock,et al.  Interkingdom pharmacology of Angiotensin-I converting enzyme inhibitor phosphonates produced by actinomycetes. , 2014, ACS medicinal chemistry letters.

[32]  K. Lesch,et al.  Influence of a Latrophilin 3 (LPHN3) risk haplotype on event-related potential measures of cognitive response control in attention-deficit hyperactivity disorder (ADHD) , 2013, European Neuropsychopharmacology.

[33]  A. Labbe,et al.  Refining psychiatric phenotypes for response to treatment: Contribution of LPHN3 in ADHD , 2012, American Journal of Medical Genetics Part B: Neuropsychiatric Genetics.

[34]  R. Limberger,et al.  Toxicological Effects of a Mixture Used in Weight Loss Products: p-Synephrine Associated With Ephedrine, Salicin, and Caffeine , 2012, International journal of toxicology.

[35]  Tian Lu,et al.  Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..

[36]  C. Freitag,et al.  A common variant of the latrophilin 3 gene, LPHN3, confers susceptibility to ADHD and predicts effectiveness of stimulant medication. , 2010, Molecular psychiatry.

[37]  Arthur J. Olson,et al.  AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading , 2009, J. Comput. Chem..

[38]  P. Ayers,et al.  Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition , 2009 .

[39]  Noel M. O'Boyle,et al.  cclib: A library for package‐independent computational chemistry algorithms , 2008, J. Comput. Chem..

[40]  Takanori Muto,et al.  Structures of the extracellular regions of the group II/III metabotropic glutamate receptors , 2007, Proceedings of the National Academy of Sciences.

[41]  L. Prézeau,et al.  Evolution, structure, and activation mechanism of family 3/C G-protein-coupled receptors. , 2003, Pharmacology & therapeutics.

[42]  M E J Newman,et al.  Community structure in social and biological networks , 2001, Proceedings of the National Academy of Sciences of the United States of America.

[43]  T. Südhof.  alpha-Latrotoxin and its receptors: neurexins and CIRL/latrophilins. , 2001, Annual review of neuroscience.

[44]  A. R. Little,et al.  A Novel Ubiquitously Expressed α-Latrotoxin Receptor Is a Member of the CIRL Family of G-protein-coupled Receptors* , 1999, The Journal of Biological Chemistry.

[45]  S. Nakanishi,et al.  Molecular diversity and functions of glutamate receptors. , 1994, Annual review of biophysics and biomolecular structure.

[46]  S. Heinemann,et al.  Cloned glutamate receptors. , 1994, Annual review of neuroscience.

[47]  T. A. Wheaton,et al.  Biosynthesis of synephrine in citrus , 1969 .