Bentzien J - Search Results

1

Kinase Crystal Miner: A Powerful Approach to Repurposing 3D Hinge Binding Fragments and Its Application to Finding Novel Bruton Tyrosine Kinase Inhibitors.

Mukherjee P, Bentzien J, Bosanac T, Mao W, Burke M, Muegge I. Mukherjee P, et al. Among authors: bentzien j. J Chem Inf Model. 2017 Sep 25;57(9):2152-2160. doi: 10.1021/acs.jcim.7b00213. Epub 2017 Aug 28. J Chem Inf Model. 2017. PMID: 28792217

2

In silico predictions of genotoxicity for aromatic amines.

Bentzien J, Muegge I. Bentzien J, et al. Front Biosci (Landmark Ed). 2014 Jan 1;19(4):649-61. doi: 10.2741/4233. Front Biosci (Landmark Ed). 2014. PMID: 24389210 Free article.

3

Automatically updating predictive modeling workflows support decision-making in drug design.

Muegge I, Bentzien J, Mukherjee P, Hughes RO. Muegge I, et al. Among authors: bentzien j. Future Med Chem. 2016 Sep;8(14):1779-96. doi: 10.4155/fmc-2016-0070. Epub 2016 Sep 1. Future Med Chem. 2016. PMID: 27584594

4

Crowd computing: using competitive dynamics to develop and refine highly predictive models.

Bentzien J, Muegge I, Hamner B, Thompson DC. Bentzien J, et al. Drug Discov Today. 2013 May;18(9-10):472-8. doi: 10.1016/j.drudis.2013.01.002. Epub 2013 Jan 19. Drug Discov Today. 2013. PMID: 23337388

5

In Silico Models of Human PK Parameters. Prediction of Volume of Distribution Using an Extensive Data Set and a Reduced Number of Parameters.

Lombardo F, Bentzien J, Berellini G, Muegge I. Lombardo F, et al. Among authors: bentzien j. J Pharm Sci. 2021 Jan;110(1):500-509. doi: 10.1016/j.xphs.2020.08.023. Epub 2020 Sep 4. J Pharm Sci. 2021. PMID: 32891631

6

Discovery of potent inhibitors of interleukin-2 inducible T-cell kinase (ITK) through structure-based drug design.

Cook BN, Bentzien J, White A, Nemoto PA, Wang J, Man CC, Soleymanzadeh F, Khine HH, Kashem MA, Kugler SZ Jr, Wolak JP, Roth GP, De Lombaert S, Pullen SS, Takahashi H. Cook BN, et al. Among authors: bentzien j. Bioorg Med Chem Lett. 2009 Feb 1;19(3):773-7. doi: 10.1016/j.bmcl.2008.12.028. Epub 2008 Dec 10. Bioorg Med Chem Lett. 2009. PMID: 19111460

7

2-Aminobenzimidazoles as potent ITK antagonists: trans-stilbene-like moieties targeting the kinase specificity pocket.

Lo HY, Bentzien J, Fleck RW, Pullen SS, Khine HH, Woska JR Jr, Kugler SZ, Kashem MA, Takahashi H. Lo HY, et al. Among authors: bentzien j. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6218-21. doi: 10.1016/j.bmcl.2008.09.098. Epub 2008 Oct 2. Bioorg Med Chem Lett. 2008. PMID: 18930400

8

An in silico method for predicting Ames activities of primary aromatic amines by calculating the stabilities of nitrenium ions.

Bentzien J, Hickey ER, Kemper RA, Brewer ML, Dyekjaer JD, East SP, Whittaker M. Bentzien J, et al. J Chem Inf Model. 2010 Feb 22;50(2):274-97. doi: 10.1021/ci900378x. J Chem Inf Model. 2010. PMID: 20078034

9

DemQSAR: predicting human volume of distribution and clearance of drugs.

Demir-Kavuk O, Bentzien J, Muegge I, Knapp EW. Demir-Kavuk O, et al. Among authors: bentzien j. J Comput Aided Mol Des. 2011 Dec;25(12):1121-33. doi: 10.1007/s10822-011-9496-z. Epub 2011 Nov 20. J Comput Aided Mol Des. 2011. PMID: 22101402

10

Function-regulating pharmacophores in a sulfonamide class of glucocorticoid receptor agonists.

Kuzmich D, Bentzien J, Betageri R, DiSalvo D, Fadra-Khan T, Harcken C, Kukulka A, Nabozny G, Nelson R, Pack E, Souza D, Thomson D. Kuzmich D, et al. Among authors: bentzien j. Bioorg Med Chem Lett. 2013 Dec 15;23(24):6640-4. doi: 10.1016/j.bmcl.2013.10.052. Epub 2013 Oct 31. Bioorg Med Chem Lett. 2013. PMID: 24215891

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