Detalles de la búsqueda
1.
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists.
Angew Chem Int Ed Engl
; 59(38): 16536-16543, 2020 09 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-32542862
2.
Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays.
Chem Res Toxicol
; 32(9): 1811-1823, 2019 09 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-31327231
3.
Highly efficient one-pot assembly of peptides by double chemoselective coupling.
Org Biomol Chem
; 15(36): 7533-7542, 2017 Sep 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-28829106
4.
Novel l-prolyl-l-leucylglycinamide (PLG) tripeptidomimetics based on a 2-azanorbornane scaffold as positive allosteric modulators of the D2R.
Org Biomol Chem
; 14(47): 11065-11069, 2016 Nov 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-27830864
5.
Structure-based design of new KSP-Eg5 inhibitors assisted by a targeted multicomponent reaction.
Chembiochem
; 15(10): 1471-80, 2014 Jul 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-24943831
6.
Prediction of multi-target networks of neuroprotective compounds with entropy indices and synthesis, assay, and theoretical study of new asymmetric 1,2-rasagiline carbamates.
Int J Mol Sci
; 15(9): 17035-64, 2014 Sep 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-25255029
7.
Exploring structural determinants of neuroprotection bias on novel glypromate conjugates with bioactive amines.
Eur J Med Chem
; 267: 116174, 2024 Mar 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-38306884
8.
Exploring Biginelli-based scaffolds as A2B adenosine receptor antagonists: Unveiling novel structure-activity relationship trends, lead compounds, and potent colorectal anticancer agents.
Biomed Pharmacother
; 173: 116345, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-38442670
9.
TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.
Bioorg Med Chem
; 21(7): 1870-9, 2013 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-23415089
10.
Concise Overview of Glypromate Neuropeptide Research: From Chemistry to Pharmacological Applications in Neurosciences.
ACS Chem Neurosci
; 14(4): 554-572, 2023 02 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36735764
11.
Pharmacological insights emerging from the characterization of a large collection of synthetic cannabinoid receptor agonists designer drugs.
Biomed Pharmacother
; 164: 114934, 2023 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-37236027
12.
Stapling Amantadine to Melanostatin Neuropeptide: Discovery of Potent Positive Allosteric Modulators of the D2 Receptors.
ACS Med Chem Lett
; 14(12): 1656-1663, 2023 Dec 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-38116429
13.
Exploring the Effect of Halogenation in a Series of Potent and Selective A2B Adenosine Receptor Antagonists.
J Med Chem
; 66(1): 890-912, 2023 01 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36517209
14.
ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen.
Bioorg Med Chem
; 20(20): 6181-94, 2012 Oct 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-22981917
15.
A2B adenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models.
J Immunother Cancer
; 10(5)2022 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35580926
16.
Exploring Non-orthosteric Interactions with a Series of Potent and Selective A3 Antagonists.
ACS Med Chem Lett
; 13(2): 243-249, 2022 Feb 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-35178181
17.
Optimization of 2-Amino-4,6-diarylpyrimidine-5-carbonitriles as Potent and Selective A1 Antagonists.
J Med Chem
; 65(3): 2091-2106, 2022 02 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-35068155
18.
MIND-BEST: Web server for drugs and target discovery; design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from Trichomonas gallinae.
J Proteome Res
; 10(4): 1698-718, 2011 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21184613
19.
NL MIND-BEST: a web server for ligands and proteins discovery--theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum.
J Theor Biol
; 276(1): 229-49, 2011 May 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-21277861
20.
Theoretical study of GSK-3α: neural networks QSAR studies for the design of new inhibitors using 2D descriptors.
Mol Divers
; 15(4): 947-55, 2011 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-21735119