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Items: 16

1.
2.

Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.

Schoepfer J, Jahnke W, Berellini G, Buonamici S, Cotesta S, Cowan-Jacob SW, Dodd S, Drueckes P, Fabbro D, Gabriel T, Groell JM, Grotzfeld RM, Hassan AQ, Henry C, Iyer V, Jones D, Lombardo F, Loo A, Manley PW, Pellé X, Rummel G, Salem B, Warmuth M, Wylie AA, Zoller T, Marzinzik AL, Furet P.

J Med Chem. 2018 Sep 27;61(18):8120-8135. doi: 10.1021/acs.jmedchem.8b01040. Epub 2018 Sep 7.

PMID:
30137981
3.

Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds.

Lombardo F, Berellini G, Obach RS.

Drug Metab Dispos. 2018 Nov;46(11):1466-1477. doi: 10.1124/dmd.118.082966. Epub 2018 Aug 16.

PMID:
30115648
4.

The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.

Wylie AA, Schoepfer J, Jahnke W, Cowan-Jacob SW, Loo A, Furet P, Marzinzik AL, Pelle X, Donovan J, Zhu W, Buonamici S, Hassan AQ, Lombardo F, Iyer V, Palmer M, Berellini G, Dodd S, Thohan S, Bitter H, Branford S, Ross DM, Hughes TP, Petruzzelli L, Vanasse KG, Warmuth M, Hofmann F, Keen NJ, Sellers WR.

Nature. 2017 Mar 30;543(7647):733-737. doi: 10.1038/nature21702. Epub 2017 Mar 22.

PMID:
28329763
5.

Systematic Evaluation of Wajima Superposition (Steady-State Concentration to Mean Residence Time) in the Estimation of Human Intravenous Pharmacokinetic Profile.

Lombardo F, Berellini G, Labonte LR, Liang G, Kim S.

J Pharm Sci. 2016 Mar;105(3):1277-87. doi: 10.1016/S0022-3549(15)00174-4. Epub 2016 Feb 3.

PMID:
26886320
6.

Englerin A Agonizes the TRPC4/C5 Cation Channels to Inhibit Tumor Cell Line Proliferation.

Carson C, Raman P, Tullai J, Xu L, Henault M, Thomas E, Yeola S, Lao J, McPate M, Verkuyl JM, Marsh G, Sarber J, Amaral A, Bailey S, Lubicka D, Pham H, Miranda N, Ding J, Tang HM, Ju H, Tranter P, Ji N, Krastel P, Jain RK, Schumacher AM, Loureiro JJ, George E, Berellini G, Ross NT, Bushell SM, Erdemli G, Solomon JM.

PLoS One. 2015 Jun 22;10(6):e0127498. doi: 10.1371/journal.pone.0127498. eCollection 2015.

7.

Benefit of Retraining pKa Models Studied Using Internally Measured Data.

Gedeck P, Lu Y, Skolnik S, Rodde S, Dollinger G, Jia W, Berellini G, Vianello R, Faller B, Lombardo F.

J Chem Inf Model. 2015 Jul 27;55(7):1449-59. doi: 10.1021/acs.jcim.5b00172. Epub 2015 Jun 29.

PMID:
26052622
8.

Clearance mechanism assignment and total clearance prediction in human based upon in silico models.

Lombardo F, Obach RS, Varma MV, Stringer R, Berellini G.

J Med Chem. 2014 May 22;57(10):4397-405. doi: 10.1021/jm500436v. Epub 2014 May 6.

PMID:
24773013
9.

Comprehensive assessment of human pharmacokinetic prediction based on in vivo animal pharmacokinetic data, part 2: clearance.

Lombardo F, Waters NJ, Argikar UA, Dennehy MK, Zhan J, Gunduz M, Harriman SP, Berellini G, Liric Rajlic I, Obach RS.

J Clin Pharmacol. 2013 Feb;53(2):178-91. doi: 10.1177/0091270012440282. Epub 2013 Jan 24.

PMID:
23436263
10.

Comprehensive assessment of human pharmacokinetic prediction based on in vivo animal pharmacokinetic data, part 1: volume of distribution at steady state.

Lombardo F, Waters NJ, Argikar UA, Dennehy MK, Zhan J, Gunduz M, Harriman SP, Berellini G, Rajlic IL, Obach RS.

J Clin Pharmacol. 2013 Feb;53(2):167-77. doi: 10.1177/0091270012440281. Epub 2013 Jan 24. Erratum in: J Clin Pharmacol. 2013 May;53(5):574.

PMID:
23436262
11.

In silico prediction of total human plasma clearance.

Berellini G, Waters NJ, Lombardo F.

J Chem Inf Model. 2012 Aug 27;52(8):2069-78. doi: 10.1021/ci300155y. Epub 2012 Jul 18.

PMID:
22715914
12.

Evolution of the physicochemical properties of marketed drugs: can history foretell the future?

Faller B, Ottaviani G, Ertl P, Berellini G, Collis A.

Drug Discov Today. 2011 Nov;16(21-22):976-84. doi: 10.1016/j.drudis.2011.07.003. Epub 2011 Jul 18. Review.

PMID:
21782967
13.

In silico prediction of volume of distribution in human using linear and nonlinear models on a 669 compound data set.

Berellini G, Springer C, Waters NJ, Lombardo F.

J Med Chem. 2009 Jul 23;52(14):4488-95. doi: 10.1021/jm9004658.

PMID:
19603833
14.

Interaction of DDSDEEN peptide with N-CAM protein. Possible mechanism enhancing neuronal differentiation.

Marsili V, Lupidi G, Berellini G, Calzuola I, Perni S, Cruciani G, Gianfranceschi GL.

Peptides. 2008 Dec;29(12):2232-42. doi: 10.1016/j.peptides.2008.09.008. Epub 2008 Sep 21.

PMID:
18852000
15.

Design and synthesis of trans 2-(furan-2-yl)vinyl heteroaromatic iodides with antitumour activity.

Fortuna CG, Barresi V, Berellini G, Musumarra G.

Bioorg Med Chem. 2008 Apr 1;16(7):4150-9. doi: 10.1016/j.bmc.2007.12.042. Epub 2007 Dec 25.

PMID:
18248996
16.

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