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Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures.
Danielson ML, Desai PV, Mohutsky MA, Wrighton SA, Lill MA. Danielson ML, et al. Among authors: wrighton sa. Eur J Med Chem. 2011 Sep;46(9):3953-63. doi: 10.1016/j.ejmech.2011.05.067. Epub 2011 Jun 23. Eur J Med Chem. 2011. PMID: 21703735 Free PMC article.
We have combined molecular dynamics, AutoDock Vina docking, the neighboring atom type (NAT) reactivity model, and a solvent-accessible surface-area term to form a reactivity-accessibility model capable of predicting SOM for cytochrome P450 2C9 substrates. ...
We have combined molecular dynamics, AutoDock Vina docking, the neighboring atom type (NAT) reactivity model, and a solvent-accessible surfa …
Predictions of the in vivo clearance of drugs from rate of loss using human liver microsomes for phase I and phase II biotransformations.
Mohutsky MA, Chien JY, Ring BJ, Wrighton SA. Mohutsky MA, et al. Among authors: wrighton sa. Pharm Res. 2006 Apr;23(4):654-62. doi: 10.1007/s11095-006-9663-4. Epub 2006 Mar 24. Pharm Res. 2006. PMID: 16550474
Of particular interest, for highly bound drugs (>95% plasma protein bound), the addition of a plasma protein binding term increased the accuracy of the prediction of in vivo clearance. ...
Of particular interest, for highly bound drugs (>95% plasma protein bound), the addition of a plasma protein binding term increase …
Involvement of Toll-like receptor 4 in acetaminophen hepatotoxicity.
Yohe HC, O'Hara KA, Hunt JA, Kitzmiller TJ, Wood SG, Bement JL, Bement WJ, Szakacs JG, Wrighton SA, Jacobs JM, Kostrubsky V, Sinclair PR, Sinclair JF. Yohe HC, et al. Among authors: wrighton sa. Am J Physiol Gastrointest Liver Physiol. 2006 Jun;290(6):G1269-79. doi: 10.1152/ajpgi.00239.2005. Epub 2006 Jan 26. Am J Physiol Gastrointest Liver Physiol. 2006. PMID: 16439473 Free article.
Others have found that ethanol-mediated liver disease is decreased in C3H/HeJ mice, which have a mutated TLR4 resulting in a decreased response to endotoxin compared with endotoxin-responsive mice. In the present study, short-term (1 wk) pretreatment with ethanol plus isop …
Others have found that ethanol-mediated liver disease is decreased in C3H/HeJ mice, which have a mutated TLR4 resulting in a decreased respo …
Mechanism of arsenite-mediated decreases in CYP3A23 in rat hepatocytes.
Noreault TL, Jacobs JM, Nichols RC, Trask HW, Wrighton SA, Sinclair PR, Sinclair JF. Noreault TL, et al. Among authors: wrighton sa. Biochem Biophys Res Commun. 2005 Aug 12;333(4):1211-7. doi: 10.1016/j.bbrc.2005.05.194. Biochem Biophys Res Commun. 2005. PMID: 15979568
However, calpeptin enhanced the effect of arsenite to decrease induction of CYP3A23 protein. In addition, in short-term studies, calpeptin appeared to be a suicidal inhibitor of CYP3A-catalyzed enzyme activity. ...
However, calpeptin enhanced the effect of arsenite to decrease induction of CYP3A23 protein. In addition, in short-term studies, calp …
Acetaminophen hepatotoxicity precipitated by short-term treatment of rats with ethanol and isopentanol: protection by triacetyloleandomycin.
Sinclair JF, Szakacs JG, Wood SG, Kostrubsky VE, Jeffery EH, Wrighton SA, Bement WJ, Wright D, Sinclair PR. Sinclair JF, et al. Among authors: wrighton sa. Biochem Pharmacol. 2000 Feb 15;59(4):445-54. doi: 10.1016/s0006-2952(99)00349-4. Biochem Pharmacol. 2000. PMID: 10644054 Free article.
We also found that exposure to ethanol along with 0.1% isopentanol for only 3 days resulted in maximal increases in acetaminophen hepatotoxicity by the combined alcohol treatment, suggesting that short-term consumption of alcoholic beverages rich in isopentanol may be a ri …
We also found that exposure to ethanol along with 0.1% isopentanol for only 3 days resulted in maximal increases in acetaminophen hepatotoxi …
Involvement of multiple cytochrome P450 isoforms in naproxen O-demethylation.
Tracy TS, Marra C, Wrighton SA, Gonzalez FJ, Korzekwa KR. Tracy TS, et al. Among authors: wrighton sa. Eur J Clin Pharmacol. 1997;52(4):293-8. doi: 10.1007/s002280050293. Eur J Clin Pharmacol. 1997. PMID: 9248768
RESULTS: In human liver microsomes (n = 7), desmethylnaproxen formation was observed with a mean kM of 92 (21) mumol.l-1, Vmax of 538 pmol.min-1.mg-1 protein and Cint2 (reflective of a second binding site) of 0.36 microliter.min-1.mg-1 protein. This Cint2 term was added si …
RESULTS: In human liver microsomes (n = 7), desmethylnaproxen formation was observed with a mean kM of 92 (21) mumol.l-1, Vmax of 538 pmol.m …
The use of in vitro metabolism techniques in the planning and interpretation of drug safety studies.
Wrighton SA, Ring BJ, VandenBranden M. Wrighton SA, et al. Toxicol Pathol. 1995 Mar-Apr;23(2):199-208. doi: 10.1177/019262339502300214. Toxicol Pathol. 1995. PMID: 7569675 Review.
An important issue in toxicology is the suitability of the data obtained with experimental animals for human risk assessment. Because it is not possible to use humans in long-term toxicological studies, the use of animals will continue. However, the data obtained in animal …
An important issue in toxicology is the suitability of the data obtained with experimental animals for human risk assessment. Because it is …