Ignacio Aliagas
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Explore the profile of Ignacio Aliagas including associated specialties, affiliations and a list of published articles.
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22
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932
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Recent Articles
11.
Rudolph J, Aliagas I, Crawford J, Mathieu S, Lee W, Chao Q, et al.
ACS Med Chem Lett
. 2015 Jun;
6(6):711-5.
PMID: 26101579
To increase kinase selectivity in an aminopyrazole-based PAK1 inhibitor series, analogues were designed to interact with the PAK1 deep-front pocket pre-DFG residue Thr-406, a residue that is hydrophobic in most...
12.
Crawford J, Lee W, Aliagas I, Mathieu S, Hoeflich K, Zhou W, et al.
J Med Chem
. 2015 Jun;
58(12):5121-36.
PMID: 26030457
The p21-activated kinases (PAKs) play important roles in cytoskeletal organization, cellular morphogenesis, and survival and have generated significant attention as potential therapeutic targets for cancer. Following a high-throughput screen, we...
13.
Feng J, Aliagas I, Bergeron P, Blaney J, Bradley E, Koehler M, et al.
J Comput Aided Mol Des
. 2015 Apr;
29(6):511-23.
PMID: 25921252
Structure- and property-based drug design is an integral part of modern drug discovery, enabling the design of compounds aimed at improving potency and selectivity. However, building molecules using desktop modeling...
14.
Aliagas I, Gobbi A, Heffron T, Lee M, Ortwine D, Zak M, et al.
J Comput Aided Mol Des
. 2015 Feb;
29(4):327-38.
PMID: 25708388
Using data from the in vitro liver microsomes metabolic stability assay, we have developed QSAR models to predict in vitro human clearance. Models were trained using in house high-throughput assay...
15.
Wenglowsky S, Ren L, Ahrendt K, Laird E, Aliagas I, Alicke B, et al.
ACS Med Chem Lett
. 2014 Jun;
2(5):342-7.
PMID: 24900315
The V600E mutation of B-Raf kinase results in constitutive activation of the MAPK signaling pathway and is present in approximately 7% of all cancers. Using structure-based design, a novel series...
16.
Hamman C, Wong M, Aliagas I, Ortwine D, Pease J, Schmidt Jr D, et al.
J Chromatogr A
. 2013 Jul;
1305:310-9.
PMID: 23891213
A rapid screening method to identify the best conditions for chiral separations is described. We analyzed a representative set of 80 racemic compounds against 25 different chiral stationary phases with...
17.
Zak M, Hurley C, Ward S, Bergeron P, Barrett K, Balazs M, et al.
J Med Chem
. 2013 May;
56(11):4764-85.
PMID: 23659214
Herein we report on the structure-based discovery of a C-2 hydroxyethyl moiety which provided consistently high levels of selectivity for JAK1 over JAK2 to the imidazopyrrolopyridine series of JAK1 inhibitors....
18.
Ortwine D, Aliagas I
Mol Pharm
. 2013 Feb;
10(4):1153-61.
PMID: 23402361
It is known that the developability of drugs is related to their physicochemical and DMPK properties. Given the time and expense involved in discovering and developing new drugs, maximizing the...
19.
Mathieu S, Gradl S, Ren L, Wen Z, Aliagas I, Gunzner-Toste J, et al.
J Med Chem
. 2012 Feb;
55(6):2869-81.
PMID: 22335519
Recent clinical data provided proof-of-concept for selective B-Raf inhibitors in treatment of B-Raf(V600E) mutant melanoma. Pyrazolopyridine-type B-Raf inhibitors previously described by the authors are potent and selective but exhibit low...
20.
Lee M, Aliagas I, Dotson J, Feng J, Gobbi A, Heffron T
J Chem Inf Model
. 2011 Nov;
52(2):278-84.
PMID: 22080614
To minimize the risk of failure in clinical trials, drug discovery teams must propose active and selective clinical candidates with good physicochemical properties. An additional challenge is that today drug...