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Items: 1 to 20 of 82

1.

Understanding the molecular properties and metabolism of top prescribed drugs.

Zhong HA, Mashinson V, Woolman TA, Zha M.

Curr Top Med Chem. 2013;13(11):1290-307. Review.

PMID:
23675936
2.

Generation of a set of simple, interpretable ADMET rules of thumb.

Gleeson MP.

J Med Chem. 2008 Feb 28;51(4):817-34. doi: 10.1021/jm701122q.

PMID:
18232648
3.

ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parameters.

Gleeson P, Bravi G, Modi S, Lowe D.

Bioorg Med Chem. 2009 Aug 15;17(16):5906-19. doi: 10.1016/j.bmc.2009.07.002.

PMID:
19632124
4.

Development of reliable aqueous solubility models and their application in druglike analysis.

Wang J, Krudy G, Hou T, Zhang W, Holland G, Xu X.

J Chem Inf Model. 2007 Jul-Aug;47(4):1395-404.

PMID:
17569522
5.

Current trends in lead discovery: are we looking for the appropriate properties?

Oprea TI.

J Comput Aided Mol Des. 2002 May-Jun;16(5-6):325-34.

PMID:
12489682
6.

Use of 3D properties to characterize beyond rule-of-5 property space for passive permeation.

GuimarĂ£es CR, Mathiowetz AM, Shalaeva M, Goetz G, Liras S.

J Chem Inf Model. 2012 Apr 23;52(4):882-90. doi: 10.1021/ci300010y.

PMID:
22394163
7.

Polymorphic metabolism by functional alterations of human cytochrome P450 enzymes.

Lee IS, Kim D.

Arch Pharm Res. 2011 Nov;34(11):1799-816. doi: 10.1007/s12272-011-1103-2. Review.

PMID:
22139682
9.

Pharmacophore modeling for ADME.

Guner OF, Bowen JP.

Curr Top Med Chem. 2013;13(11):1327-42. Review.

PMID:
23675939
10.
11.

Involvement of multiple cytochrome P450 and UDP-glucuronosyltransferase enzymes in the in vitro metabolism of muraglitazar.

Zhang D, Wang L, Chandrasena G, Ma L, Zhu M, Zhang H, Davis CD, Humphreys WG.

Drug Metab Dispos. 2007 Jan;35(1):139-49.

12.

Evaluation of liposomal curcumin cytochrome p450 metabolism.

Mach CM, Chen JH, Mosley SA, Kurzrock R, Smith JA.

Anticancer Res. 2010 Mar;30(3):811-4.

PMID:
20393001
14.

Mechanistic insights from comparing intrinsic clearance values between human liver microsomes and hepatocytes to guide drug design.

Di L, Keefer C, Scott DO, Strelevitz TJ, Chang G, Bi YA, Lai Y, Duckworth J, Fenner K, Troutman MD, Obach RS.

Eur J Med Chem. 2012 Nov;57:441-8. doi: 10.1016/j.ejmech.2012.06.043.

PMID:
22840492
15.

In silico physicochemical parameter predictions.

Wenlock MC, Barton P.

Mol Pharm. 2013 Apr 1;10(4):1224-35. doi: 10.1021/mp300537k.

PMID:
23305561
16.
17.

admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties.

Cheng F, Li W, Zhou Y, Shen J, Wu Z, Liu G, Lee PW, Tang Y.

J Chem Inf Model. 2012 Nov 26;52(11):3099-105. doi: 10.1021/ci300367a.

PMID:
23092397
18.
19.

Novel application of 2D and 3D-similarity searches to identify substrates among cytochrome P450 2C9, 2D6, and 3A4.

Freitas RF, Bauab RL, Montanari CA.

J Chem Inf Model. 2010 Jan;50(1):97-109. doi: 10.1021/ci900074t.

PMID:
20055489
20.

Cytochrome P450 isoforms involved in metabolism of the enantiomers of verapamil and norverapamil.

Tracy TS, Korzekwa KR, Gonzalez FJ, Wainer IW.

Br J Clin Pharmacol. 1999 May;47(5):545-52.

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