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Items: 16

1.

State of the art of Smo antagonists for cancer therapy: advances in the target receptor and new ligand structures.

Espinosa-Bustos C, Mella J, Soto-Delgado J, Salas CO.

Future Med Chem. 2019 Mar;11(6):617-638. doi: 10.4155/fmc-2018-0497. Epub 2019 Mar 26.

PMID:
30912670
2.

Ion-Ion Repulsions and Charge-Shielding Effects Dominate the Permeation Mechanism through the OmpF Porin Channel.

Ahumada JC, Alemán C, Soto-Delgado J, Torras J.

J Phys Chem B. 2019 Jan 10;123(1):86-94. doi: 10.1021/acs.jpcb.8b09549. Epub 2018 Dec 18.

PMID:
30516981
3.

Structure-Activity Relationships Based on 3D-QSAR CoMFA/CoMSIA and Design of Aryloxypropanol-Amine Agonists with Selectivity for the Human β3-Adrenergic Receptor and Anti-Obesity and Anti-Diabetic Profiles.

Lorca M, Morales-Verdejo C, Vásquez-Velásquez D, Andrades-Lagos J, Campanini-Salinas J, Soto-Delgado J, Recabarren-Gajardo G, Mella J.

Molecules. 2018 May 16;23(5). pii: E1191. doi: 10.3390/molecules23051191.

4.

Combined molecular modelling and 3D-QSAR study for understanding the inhibition of NQO1 by heterocyclic quinone derivatives.

López-Lira C, Alzate-Morales JH, Paulino M, Mella-Raipán J, Salas CO, Tapia RA, Soto-Delgado J.

Chem Biol Drug Des. 2018 Jan;91(1):29-38. doi: 10.1111/cbdd.13051. Epub 2017 Aug 20.

PMID:
28643389
5.

2D-QSAR and 3D-QSAR/CoMSIA Studies on a Series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-Phenylethan-1-ol with Human β₃-Adrenergic Activity.

Apablaza G, Montoya L, Morales-Verdejo C, Mellado M, Cuellar M, Lagos CF, Soto-Delgado J, Chung H, Pessoa-Mahana CD, Mella J.

Molecules. 2017 Mar 5;22(3). pii: E404. doi: 10.3390/molecules22030404.

6.

Multiscale Treatment for the Molecular Mechanism of a Diels-Alder Reaction in Solution: A QM/MM-MD Study.

Soto-Delgado J, Tapia RA, Torras J.

J Chem Theory Comput. 2016 Oct 11;12(10):4735-4742. Epub 2016 Sep 26.

PMID:
27640742
7.

Structural analysis and molecular docking of trypanocidal aryloxy-quinones in trypanothione and glutathione reductases: a comparison with biochemical data.

Vera B, Vázquez K, Mascayano C, Tapia RA, Espinosa V, Soto-Delgado J, Salas CO, Paulino M.

J Biomol Struct Dyn. 2017 Jun;35(8):1785-1803. doi: 10.1080/07391102.2016.1195283. Epub 2016 Jul 15.

PMID:
27232454
8.

Synthesis and biological characterization of new aryloxyindole-4,9-diones as potent trypanosomicidal agents.

Tapia RA, Salas CO, Vázquez K, Espinosa-Bustos C, Soto-Delgado J, Varela J, Birriel E, Cerecetto H, González M, Paulino M.

Bioorg Med Chem Lett. 2014 Aug 15;24(16):3919-22. doi: 10.1016/j.bmcl.2014.06.044. Epub 2014 Jun 24.

PMID:
25008454
9.

Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone system.

Soto-Delgado J, Sáez JA, Tapia RA, Domingo LR.

Org Biomol Chem. 2013 Dec 28;11(48):8357-65. doi: 10.1039/c3ob41860j. Epub 2013 Oct 29.

10.

On the catalytic effect of water in the intramolecular Diels–Alder reaction of quinone systems: a theoretical study.

Soto-Delgado J, Aizman A, Contreras R, Domingo LR.

Molecules. 2012 Nov 20;17(11):13687-703. doi: 10.3390/molecules171113687.

11.

Bond Fukui functions as descriptor of the electron density reorganization in π conjugated systems.

Gonzalez-Suarez M, Aizman A, Soto-Delgado J, Contreras R.

J Org Chem. 2012 Jan 6;77(1):90-5. doi: 10.1021/jo201465g. Epub 2011 Dec 6.

PMID:
22126265
12.

Microbial transformation of marine halogenated sesquiterpenes.

San Martin A, Rovirosa J, Carrasco A, Orejarena S, Soto-Delgado J, Contreras R, Chamy MC.

Nat Prod Commun. 2010 Dec;5(12):1859-64.

PMID:
21299107
13.

Quantitative characterization of group electrophilicity and nucleophilicity for intramolecular Diels-Alder reactions.

Soto-Delgado J, Domingo LR, Contreras R.

Org Biomol Chem. 2010 Aug 21;8(16):3678-83. doi: 10.1039/c004628k. Epub 2010 Jun 4.

PMID:
20526483
14.

An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods.

Areche C, San-Martín A, Rovirosa J, Soto-Delgado J, Contreras R.

Phytochemistry. 2009 Jul;70(10):1315-20. doi: 10.1016/j.phytochem.2009.07.017. Epub 2009 Aug 19.

PMID:
19698963
15.

Antioxidant properties and free radical-scavenging reactivity of a family of hydroxynaphthalenones and dihydroxyanthracenones.

Rodríguez J, Olea-Azar C, Cavieres C, Norambuena E, Delgado-Castro T, Soto-Delgado J, Araya-Maturana R.

Bioorg Med Chem. 2007 Nov 15;15(22):7058-65. Epub 2007 Aug 7.

PMID:
17845855
16.

Effects of 9,10-dihydroxy-4,4-dimethyl-5,8-dihydro-1(4H)-anthracenone derivatives on tumor cell respiration.

Araya-Maturana R, Cardona W, Cassels BK, Delgado-Castro T, Ferreira J, Miranda D, Pavani M, Pessoa-Mahana H, Soto-Delgado J, Weiss-López B.

Bioorg Med Chem. 2006 Jul 1;14(13):4664-9. Epub 2006 Feb 28.

PMID:
16504517

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