Molecular model, acetaminophen

Molar absorptivity. 502 Molecular ion (M+), 410 Molecular mechanics. 130 Molecular model, dopamine, 930 acetaminophen, 29 acetylene, 18 adenine, 67 adrenaline, 323 alanine, 28, 1016 alanylserine, 1028 rr helix, 1039 p-aminobenzoic acid, 25 anti periplanar geometry, 387 a recoline, 79 aspartame, 29 aspirin. 17 ball-and-stick, 61 /3-pleated sheet, 1039 p-bromoacetophenone, 449 bromocyclohexane, 121 butane, 80... 

The following ball-and-stick molecular model is a representation of acetaminophen, the active ingredient in such over-the-counter headache remedies as Tylenol (red = O, gray = C, blue = N, ivory = H) ... 

Figure 17 Comparison of experimental data with model predictions for mean particle size of acetaminophen crystals obtained by jet mixing, from direct CFD calculations of macromixing and supersaturation profile in Figure 16 and from mechanistic modeling (44-46), which allows for inclusion of the effects of molecular viscosity and diffusivity on rate of mixing on molecular scale (important for low Re).

Fig. 3.1. Visualization of a drug molecule N-(4-hydroxy-phenyl)-acetamide (Tylenol or acetaminophen) computerized with different levels of graphic representations. (A) Molecular structure of the drug Tylenol. (B) Ball-stick model showing atomic positions and types. (C) Ball-stick model with van der Waals dot surfaces. (D) Space-filled model showing van der Walls radii of the oxygen, nitrogen, and carbon atoms. (E) Solvent accessible surface model (solid) (solvent radius, 1.4A). (See black and white image.)...

Yamada M, Kim S, Egashira K, Takeya M, Dceda T, Mimura O, Iwao H (2003) Molecular mechanism and role of endothelial monocyte chemoattractant protein-1 induction by vascular endothelial growth factor. Arterioscler Thromb Vase Biol 23 19%-2001 Yee SB, Bourdi M, Masson MJ, Pohl LR (2007) Hepatoprotective role of endogenous interleukin-13 in a murine model of acetaminophen-induced liver disease. Chem Res Toxicol 20 734-744 Younes M, Cornelius S, Siegers CP (1986) Ferrous ion supported in vivo lipid peroxidation induced by paracetamol - its relation to hepatotoxicity. Res Commun Chem Pathol Pharmacol 51 89-99... 

Recently, we established a GSH-knockdown rat model for the prediction of human hepatotoxicity (Akai et al. 2007). An adenovirus vector with short hairpin RNA against rat y-glutamylcysteine synthetase (GCS) heavy chain subunit was constructed and used to knockdown GSH synthesis. This rat model, with an 80% decreased hepatic GSH level, demonstrated a high sensitivity for acetaminophen-induced hepatotoxicity. With the advance of molecular biology, novel animal models will be established and applied to drug development in the near future. 

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