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
1.
Zhou Y, Aliagas I, Wang S, Li C, Liu Z, Bowman C, et al.
Bioorg Med Chem Lett
. 2024 Nov;
117():130026.
PMID: 39536836
Tuberculosis is the leading cause of death from an infectious disease, and is caused by Mycobacterium tuberculosis (M.tb). More than 1 billion people worldwide are thought to harbor an M.tb...
2.
Kofoed E, Aliagas I, Crawford T, Mao J, Harris S, Xu M, et al.
mBio
. 2024 Aug;
15(10):e0089724.
PMID: 39207111
Importance: The emergence of multidrug-resistant bacteria worldwide has renewed interest in discovering antibiotics with novel mechanism of action. For the first time ever, we demonstrate that pharmacological inhibition of guanine...
3.
Aliagas I, Gobbi A, Lee M, Sellers B
J Comput Aided Mol Des
. 2022 Apr;
36(3):253-262.
PMID: 35359246
In drug discovery, partition and distribution coefficients, logP and logD for octanol/water, are widely used as metrics of the lipophilicity of molecules, which in turn have a strong influence on...
4.
Fitch W, Khojasteh C, Aliagas I, Johnson K
Drug Metab Lett
. 2018 Aug;
12(2):93-100.
PMID: 30070179
Background: There is a continued need for improvements in the efficiency of metabolite structure elucidation. Objective: We propose to take LC Retention Time (RT) into consideration during the process of...
5.
Broccatelli F, Aliagas I, Zheng H
ACS Med Chem Lett
. 2018 Jun;
9(6):522-527.
PMID: 29937976
The optimization of the pharmacokinetic profile of a drug is one of the crucial aspects of medicinal chemistry campaigns. When efficacy is driven by a continuous coverage of the minimum...
6.
Lee M, Aliagas I, Feng J, Gabriel T, ODonnell T, Sellers B, et al.
J Cheminform
. 2017 Nov;
9(1):38.
PMID: 29086196
Background: Analyzing files containing chemical information is at the core of cheminformatics. Each analysis may require a unique workflow. This paper describes the chemalot and chemalot_knime open source packages. Chemalot...
7.
Aliagas I, Berger R, Goldberg K, Nishimura R, Reilly J, Richardson P, et al.
J Med Chem
. 2017 Apr;
60(14):5955-5968.
PMID: 28375009
With the development of ever-expanding synthetic methodologies, a medicinal chemist's toolkit continues to swell. However, with finite time and resources as well as a growing understanding of our field's environment...
8.
Lee W, Crawford J, Aliagas I, Murray L, Tay S, Wang W, et al.
Bioorg Med Chem Lett
. 2016 Jun;
26(15):3518-24.
PMID: 27346791
A series of 4-azaindole-containing p21-activated kinase-1 (PAK1) inhibitors was prepared with the goal of improving physicochemical properties relative to an indole starting point. Indole 1 represented an attractive, non-basic scaffold...
9.
Rudolph J, Murray L, Ndubaku C, OBrien T, Blackwood E, Wang W, et al.
J Med Chem
. 2016 May;
59(11):5520-41.
PMID: 27167326
p21-activated kinase 1 (PAK1) has an important role in transducing signals in several oncogenic pathways. The concept of inhibiting this kinase has garnered significant interest over the past decade, particularly...
10.
Ndubaku C, Crawford J, Drobnick J, Aliagas I, Campbell D, Dong P, et al.
ACS Med Chem Lett
. 2015 Dec;
6(12):1241-6.
PMID: 26713112
Signaling pathways intersecting with the p21-activated kinases (PAKs) play important roles in tumorigenesis and cancer progression. By recognizing that the limitations of FRAX1036 (1) were chiefly associated with the highly...