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Maria João Matos   Dr.  Post Doctoral Researcher 
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Maria João Matos published an article in December 2017.
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George Hripcsak

248 shared publications

M. Gonzalez

192 shared publications

Fernanda Borges

169 shared publications

Amit Kumar

147 shared publications

68
Publications
25
Reads
3
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117
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Publication Record
Distribution of Articles published per year 
(2000 - 2017)
Total number of journals
published in
 
46
 
Publications See all
Article 1 Read 2 Citations Chemoselective Installation of Amine Bonds on Proteins through Aza-Michael Ligation Allyson M. Freedy, Maria J. Matos, Omar Boutureira, Francisc... Published: 05 December 2017
Journal of the American Chemical Society, doi: 10.1021/jacs.7b10702
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Chemical modification of proteins is essential for a variety of important diagnostic and therapeutic applications. Many strategies developed to date lack chemo- and regioselectivity as well as result in non-native linkages that may suffer from instability in vivo and adversely affect the protein's structure and function. We describe here the reaction of N-nucleophiles with the amino acid dehydroalanine (Dha) in a protein context. When Dha is chemically installed in proteins, the addition of a wide-range N-nucleophiles enables the rapid formation of amine linkages (secondary and tertiary) in a chemoselective manner under mild, biocompatible conditions. These new linkages are stable at a wide range of pH values (pH 2.8 to 12.8), under reducing conditions (biological thiols such as glutathione) and in human plasma. This method is demonstrated for three proteins and is shown to be fully compatible with disulfide bridges, as evidenced by the selective modification of recombinant albumin that displays 17 structurally relevant disulfides. The practicability and utility of our approach is further demonstrated by the construction of a chemically modified C2A domain of Synaptotagmin-I protein that retains its ability to preferentially bind to apoptotic cells at a level comparable to the native protein. Importantly, the method was useful for building a homogeneous antibody-drug conjugate with a precise drug-to-antibody ratio of 2. The kinase inhibitor crizotinib was directly conjugated to Dha through its piperidine motif, and its antibody-mediated intracellular delivery results in 10-fold improvement of its cancer cell-killing efficacy. The simplicity and exquisite site-selectivity of the aza-Michael ligation described herein allows the construction of stable secondary and tertiary amine-linked protein conjugates without affecting the structure and function of biologically relevant proteins.
CONFERENCE-ARTICLE 3 Reads 0 Citations QSAR study of synthetic 3-arylcoumarins: <em>in silico</em> clastogenic prediction Estela Guardado, Enrique Molina, Amaury Pérez, Lianne León, ... Published: 03 November 2017
The 21st International Electronic Conference on Synthetic Organic Chemistry, doi: 10.3390/ecsoc-21-04821
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Discovering drugs to a disease is still a challenging task for researchers due to the complexity of biomolecules involved in pathologic processes. Design and development of new and more efficient drugs is still urgent for several diseases. Cheminformatics tools are useful to better understand the complex structures of chemical compounds and the implication of chemical features in the activity. In the current work, a series of synthetic 3-arylcoumarins, with reported antioxidant activity, was studied. A virtual screening, based on the TOPSMODE approach, using a clastogenic model, was performed to predict the potential genotoxicity of the studied molecules. A preliminary interpretation of the relationship between structure and clastogenicity suggests the importance of hydroxyl groups at positions 7 and/or 8 of the coumarin ring. This communication is focused on cheminformatics and its applications on drug discovery, helping to find solutions to complex diseases.

CONFERENCE-ARTICLE 4 Reads 0 Citations <strong>QSAR Model: Prediction of the Clastogenic Potential of 3-Arylcoumarins</strong> Estela Guardado, Amaury Pérez, Lianne León, Enrique Molina, ... Published: 01 November 2017
3rd International Electronic Conference on Medicinal Chemistry, doi: 10.3390/ecmc-3-04696
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Drug discovery is a challenging task for researchers due to the complexity of biomolecules involved in pathologic processes. Design and development of efficient drugs is still urgent for several diseases. Cheminformatics tools are useful to better understand the interaction between new chemical entities and their targets. We studied a selected series of 3-arylcoumarins with antioxidant potential, and determined how their chemical features can contribute for the clastogenic activity. A virtual screening, based on the TOPSMODE approach, using a clastogenic model, was performed. The results suggested that the presence and position of hydroxyl groups in the scaffold is important for the activity. This communication is focused on cheminformatics, and its applications in drug effectiveness and safety.

Article 2 Reads 0 Citations The new Central American seismic hazard zonation: Mutual consensus based on up to day seismotectonic framework Guillermo E. Alvarado, Belén Benito, Alejandra Staller, Edua... Published: 01 November 2017
Tectonophysics, doi: 10.1016/j.tecto.2017.10.013
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Article 1 Read 0 Citations Electroencephalographic and peripheral temperature dynamics during a prolonged psychomotor vigilance task Enrique Molina, Daniel Sanabria, Tzyy-Ping Jung, Ángel Corre... Published: 01 October 2017
Accident Analysis & Prevention, doi: 10.1016/j.aap.2017.10.014
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Article 0 Reads 0 Citations New insights into highly potent tyrosinase inhibitors based on 3-heteroarylcoumarins: Anti-melanogenesis and antioxidant... Francesca Pintus, Maria J. Matos, Santiago Vilar, George Hri... Published: 01 March 2017
Bioorganic & Medicinal Chemistry, doi: 10.1016/j.bmc.2017.01.037
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Melanogenesis is a physiological pathway for the formation of melanin. Tyrosinase catalyzes the first step of this process and down-regulation of its activity is responsible for the inhibition of melanogenesis. The search for molecules capable of controlling hyperpigmentation is a trend topic in health and cosmetics. A series of heteroarylcoumarins have been synthesized and evaluated. Compounds 4 and 8 exhibited higher tyrosinase inhibitory activities (IC50=0.15 and 0.38μM, respectively), than the reference compound, kojic acid (IC50=17.9μM). Compound 4 acts as competitive, while compound 8 as uncompetitive inhibitor of mushroom tyrosinase. Furthermore, compounds 2 and 8 inhibited tyrosinase activity and melanin production in B16F10 cells. In addition, compounds 2-4 and 8 proved to have an interesting antioxidant profile in both ABTS and DPPH radicals scavenging assays. Docking experiments were carried out in order to study the interactions between these heteroarylcoumarins and mushroom tyrosinase.