18 research outputs found
Photoelectron Spectra, MNDO Calculations and Electronic Structure of Some Saturated Steroids
Get PDFPhotoelectron (PE) spectra in conection with semiempirical MNDO SCF MO calculations (assuming validity of Koopmans\u27theorem) and empirical arguments (i. e. composite molecule method) are used to derive (valence) electron structure of 5a-androstane (1), 5a-androstan-3-one (2), 5a-androstan-11-one (3), 5aandrostan- 17-one (4), 5a-androstane-3,17-dione (5) and 5a-androstane-3,11,17-trione (6)
Ab initio calculations for elucidation of the lanosterol 14 alpha-demethylation mechanism
No full textM. Akhtar, I.A. Watkinson, A.D. Rahimtula, D.C. Wilton, K.A. Munday, Biochem. J. 111 (1969) 757-761], and the pathway via intermediate formyloxy proposed by Alexander et al. [K. Alexander, M. Akhtar, R.B. Boar, J.F. McGhie, D.H.R. Barton, J. Chem. Sec. Chem. Commun. (1972) 383-38
10. Evidences that progestins exerts its relaxant effect in the uterus by blocking Ca2+ channels
No full textModeling the Interaction between Two- and Four-Ring Progestin Models and a Silicone-Based Polymer Model: A Density Functional Theory Study
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The Crystal Structure of Human Δ4-3-Ketosteroid 5β-Reductase Defines the Functional Role of the Residues of the Catalytic Tetrad in the Steroid Double Bond Reduction Mechanism
No full textInsights on the mechanism of action of immunostimulants in relation to their pharmacological potency. The effects of imidazoquinolines on TLR8
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Solvent Isotope Effect on the Dark Adaptation of Bacteriorhodopsin in Purple Membrane: Viewpoints of Kinetics and Thermodynamics
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