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Article ; Online: Design and Diversity Analysis of Chemical Libraries in Drug Discovery.

Olmedo, Dionisio A / Durant-Archibold, Armando A / López-Pérez, José Luis / Medina-Franco, José Luis

Combinatorial chemistry & high throughput screening

2023 Volume 27, Issue 4, Page(s) 502–515

Abstract: Chemical libraries and compound data sets are among the main inputs to start the drug discovery process at universities, research institutes, and the pharmaceutical industry. The approach used in the design of compound libraries, the chemical information ...

Abstract	Chemical libraries and compound data sets are among the main inputs to start the drug discovery process at universities, research institutes, and the pharmaceutical industry. The approach used in the design of compound libraries, the chemical information they possess, and the representation of structures, play a fundamental role in the development of studies: chemoinformatics, food informatics,
MeSH term(s)	Cheminformatics ; Computational Biology ; Drug Design ; Drug Discovery ; Small Molecule Libraries/chemistry
Chemical Substances	Small Molecule Libraries
Language	English
Publishing date	2023-07-05
Publishing country	United Arab Emirates
Document type	Journal Article ; Review ; Research Support, Non-U.S. Gov't
ZDB-ID	2064785-2
ISSN	1875-5402 ; 1386-2073
ISSN (online)	1875-5402
ISSN	1386-2073
DOI	10.2174/1386207326666230705150110
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Article ; Online: Epitope-level profiling in children with mitochondrial disease reveals limitations in the antibacterial antibody repertoire.

Gordon-Lipkin, Eliza M / Banerjee, Payal / Thompson, Elizabeth / Kruk, Shannon / Franco, Jose Luis Marin / McGuire, Peter J

Molecular genetics and metabolism

2023 Volume 139, Issue 2, Page(s) 107581

Abstract: Introduction: Immunometabolic studies in mice have suggested the importance of oxidative phosphorylation (OXPHOS) in humoral immunity. However, there are important distinctions between murine and human immunity. Furthermore, translational studies on the ...

Abstract	Introduction: Immunometabolic studies in mice have suggested the importance of oxidative phosphorylation (OXPHOS) in humoral immunity. However, there are important distinctions between murine and human immunity. Furthermore, translational studies on the role of OXPHOS in humoral immunity are nearly absent from the biomedical literature. Children with primary OXPHOS deficiency (i.e., mitochondrial disease, MtD), are an important patient population for demonstrating the functional effects of this bioenergetic defect on humoral immunity. Methods: To define whether OXPHOS deficiency extended to human B cells, we performed extracellular flux analysis on lymphoblastoid B cell lines from children with MtD and controls (N = 4/group). To expand the immune phenotype of B cell OXPHOS deficiency, we conducted a cross-sectional multiplex serology study of the antibacterial antibody repertoire in children with MtD (N = 16) and controls (N = 16) using phage display and immunoprecipitation sequencing (PhIPseq). The PhIPseq library contained >3000 peptides (i.e., epitopes) covering >40 genera and > 150 species of bacteria that infect humans. Results: B cell lymphoblastoid cell lines from children with MtD displayed depressed baseline oxygen consumption, ATP production and reserve capacity, indicating that OXPHOS deficiency extended to these key cells in humoral immunity. Characterization of the bacterial exposome revealed comparable bacterial species between the two groups, mostly Streptococcus and Staphylococcus. The most common species of bacteria was S. pneumoniae. By interrogating the antibacterial antibody repertoire, we found that children with MtD had less robust antibody fold changes to common epitopes. Furthermore, we also found that children with MtD failed to show a direct relationship between the number of bacterial epitopes recognized and age, unlike controls. OXPHOS deficiency extends to B cells in children with MtD, leading to limitations in the antibacterial antibody repertoire. Furthermore, the timing of bacterial exposures was asynchronous, suggesting different periods of increased exposure or susceptibility. Conclusions: Overall, the antibacterial humoral response is distinctive in children with MtD, suggesting an important role for OXPHOS in B cell function.
MeSH term(s)	Humans ; Child ; Mice ; Animals ; Epitopes ; Cross-Sectional Studies ; Mitochondrial Diseases/genetics ; Oxidative Phosphorylation ; Energy Metabolism
Chemical Substances	Epitopes
Language	English
Publishing date	2023-04-14
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Intramural ; Research Support, Non-U.S. Gov't
ZDB-ID	1418518-0
ISSN	1096-7206 ; 1096-7192
ISSN (online)	1096-7206
ISSN	1096-7192
DOI	10.1016/j.ymgme.2023.107581
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Article: Autoantibodies neutralizing GM-CSF in HIV-negative Colombian patients infected with Cryptococcus gattii and C. neoformans.

Arango-Franco, Carlos A / Rojas, Julián / Firacative, Carolina / Agudelo, Clara Inés / Franco, José Luis / Casanova, Jean-Laurent / Puel, Anne / Lizarazo, Jairo / Castañeda, Elizabeth / Arias, Andrés A

Research square

2024

Abstract: Background: Cryptococcosis is a life-threatening disease caused by : Methods: We reviewed clinical and laboratory records and assessed the presence of neutralizing auto-Abs in 30 HIV (-) adults presenting cryptococcosis (13 by : Results: We ... ...

Abstract	Background: Cryptococcosis is a life-threatening disease caused by Methods: We reviewed clinical and laboratory records and assessed the presence of neutralizing auto-Abs in 30 HIV (-) adults presenting cryptococcosis (13 by Results: We detected auto-Abs neutralizing GM-CSF in the plasma of 9 out of 13 (69%) patients infected with Conclusions: We report ten Colombian patients with cryptococcosis due to auto-Abs neutralizing GM-CSF. Nine of the ten patients were infected with
Language	English
Publishing date	2024-01-19
Publishing country	United States
Document type	Preprint
DOI	10.21203/rs.3.rs-3873029/v1
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Article: Orthodontic Treatment and Healthcare Goals: Evaluation of Multibrackets Treatment Results Using PAR Index (Peer Assessment Rating).

Sfondrini, Maria Francesca / Zampetti, Paolo / Luscher, Giulia / Gandini, Paola / Gandía-Franco, José Luís / Scribante, Andrea

Healthcare (Basel, Switzerland)

2020 Volume 8, Issue 4

Abstract: Background: The evaluation of orthodontic treatment outcomes using an objective method is important in order to maintain high treatment quality and final healthcare of patients. It allows professionals and university students to raise the level of the ... ...

Abstract	Background: The evaluation of orthodontic treatment outcomes using an objective method is important in order to maintain high treatment quality and final healthcare of patients. It allows professionals and university students to raise the level of the therapy. The aim of this study was to assess the orthodontic treatment outcomes in an Italian postgraduate School of Orthodontics using Peer Assessment Rating (PAR) Index. Methods: A sample of 50 patients treated in a postgraduate program was randomly selected. PAR index was used to assess pre-treatment and post-treatment study casts by two different examiners. The influence of different variables such as gender, treatment method, and need for extraction was statistically analyzed. Results: The average numerical reduction of PAR between the beginning and the end of the treatment was 18.74 (CI 95% 16.53-20.95), while the percentage reduction was 94.8% (CI 95% 91.91-97.68). All cases improved: 8% of patients resulted in the improved category, while 92% of them were in the greatly improved group. Conclusions: According to PAR index, the results showed that patients received a high-standard therapy. None of the factors studied influenced significantly the treatment outcomes.
Language	English
Publishing date	2020-11-10
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2721009-1
ISSN	2227-9032
ISSN	2227-9032
DOI	10.3390/healthcare8040473
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Article ; Online: Primary oxidative phosphorylation defects lead to perturbations in the human B cell repertoire.

Gordon-Lipkin, Eliza M / Banerjee, Payal / Franco, Jose Luis Marin / Tarasenko, Tatiana / Kruk, Shannon / Thompson, Elizabeth / Gildea, Derek E / Zhang, Suiyuan / Wolfsberg, Tyra G / Flegel, Willy A / McGuire, Peter J

Frontiers in immunology

2023 Volume 14, Page(s) 1142634

Abstract: Introduction: The majority of studies on oxidative phosphorylation in immune cells have been performed in mouse models, necessitating human translation. To understand the impact of oxidative phosphorylation (OXPHOS) deficiency on human immunity, we ... ...

Abstract	Introduction: The majority of studies on oxidative phosphorylation in immune cells have been performed in mouse models, necessitating human translation. To understand the impact of oxidative phosphorylation (OXPHOS) deficiency on human immunity, we studied children with primary mitochondrial disease (MtD). Methods: scRNAseq analysis of peripheral blood mononuclear cells was performed on matched children with MtD (N = 4) and controls (N = 4). To define B cell function we performed phage display immunoprecipitation sequencing on a cohort of children with MtD (N = 19) and controls (N = 16). Results: Via scRNAseq, we found marked reductions in select populations involved in the humoral immune response, especially antigen presenting cells, B cell and plasma populations, with sparing of T cell populations. Discussion: Overall, we show that children with MtD display perturbations in the B cell repertoire which may impact humoral immunity and the ability to clear viral infections.
MeSH term(s)	Mice ; Animals ; Child ; Humans ; Oxidative Phosphorylation ; Leukocytes, Mononuclear ; Immunity, Humoral ; B-Lymphocytes ; Antiviral Agents
Chemical Substances	Antiviral Agents
Language	English
Publishing date	2023-07-07
Publishing country	Switzerland
Document type	Journal Article ; Research Support, N.I.H., Intramural
ZDB-ID	2606827-8
ISSN	1664-3224 ; 1664-3224
ISSN (online)	1664-3224
ISSN	1664-3224
DOI	10.3389/fimmu.2023.1142634
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Article ; Online: Comparative Study of Oral Health-Related Quality of Life (OHRQL) between Different Types of Orthodontic Treatment.

Zamora-Martínez, Natalia / Paredes-Gallardo, Vanessa / García-Sanz, Verónica / Gandía-Franco, José Luis / Tarazona-Álvarez, Beatriz

Medicina (Kaunas, Lithuania)

2021 Volume 57, Issue 7

Abstract: Background and objectives: ...

Abstract	Background and objectives:
MeSH term(s)	Humans ; Index of Orthodontic Treatment Need ; Malocclusion/therapy ; Orthodontic Appliances ; Quality of Life ; Surveys and Questionnaires
Language	English
Publishing date	2021-07-02
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2188113-3
ISSN	1648-9144 ; 1010-660X
ISSN (online)	1648-9144
ISSN	1010-660X
DOI	10.3390/medicina57070683
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Article ; Online: Unplanned molar intrusion after Invisalign treatment.

Talens-Cogollos, Laura / Vela-Hernández, Arturo / Peiró-Guijarro, María Aurora / García-Sanz, Verónica / Montiel-Company, José María / Gandía-Franco, José Luis / Bellot-Arcís, Carlos / Paredes-Gallardo, Vanessa

American journal of orthodontics and dentofacial orthopedics : official publication of the American Association of Orthodontists, its constituent societies, and the American Board of Orthodontics

2022 Volume 162, Issue 4, Page(s) 451–458

Abstract: Introduction: The objectives of this study were to analyze and quantify molar intrusion after the use of clear aligners and to analyze the relationship with other variables such as age, duration of treatment, and a series of cephalometric osseous and ... ...

Abstract	Introduction: The objectives of this study were to analyze and quantify molar intrusion after the use of clear aligners and to analyze the relationship with other variables such as age, duration of treatment, and a series of cephalometric osseous and dental measurements at the start of treatment. Methods: A retrospective descriptive-analytical study was designed with a sample of 58 patients aged 18-60 years who had undergone treatment with Invisalign. The cephalometric measurements were carried out after lateral x-rays were taken of the cranium; these were compared at the start (T0) and conclusion of treatment. Parametric and nonparametric tests were used to compare means, whereas Pearson correlations and multivariate lineal regression analyses were used to establish the variables associated with molar intrusion. Results: Approximately 74.2% of the patients presented some degree of molar intrusion after treatment. Furthermore, 32.8% of patients presented intrusion only at the mandibular molar, whereas 25.9% experienced intrusion at both molars, maxillary and mandibular, simultaneously. However, 15.5% presented intrusion only at the maxillary molar. The average magnitude of intrusion here was 0.98 ± 0.54 mm, whereas the mandibular molar was 0.84 ± 0.29 mm. Statistically significant reductions exist for the distance L6_MP and U6_SN between T0 and at conclusion of treatment. Maxillary molar intrusion correlates negatively with mandibular molar intrusion (r = -0.270). The number of days of treatment did not correlate with either maxillary or mandibular molar intrusion. Conclusions: Clear aligners give rise to molar intrusion in 74.2% of patients. The cephalometric variables L6_MP T0, mandibular plane angle T0, and facial axis T0 were negatively and significantly associated with maxillary molar intrusion, whereas age and facial axis T0 were negatively associated with mandibular molar intrusion allowing smaller magnitudes of intrusion to be predicted when these variables present high values at T0.
MeSH term(s)	Cephalometry ; Humans ; Maxilla/diagnostic imaging ; Molar/diagnostic imaging ; Open Bite/therapy ; Orthodontic Appliances, Removable ; Retrospective Studies ; Tooth Movement Techniques/adverse effects
Language	English
Publishing date	2022-03-16
Publishing country	United States
Document type	Journal Article
ZDB-ID	356699-7
ISSN	1097-6752 ; 0889-5406 ; 0002-9416
ISSN (online)	1097-6752
ISSN	0889-5406 ; 0002-9416
DOI	10.1016/j.ajodo.2021.03.019
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Article ; Online: Arch expansion with the Invisalign system: Efficacy and predictability.

Morales-Burruezo, Ignacio / Gandía-Franco, José-Luis / Cobo, Juan / Vela-Hernández, Arturo / Bellot-Arcís, Carlos

PloS one

2020 Volume 15, Issue 12, Page(s) e0242979

Abstract: Background: In adult patients, treatment of skeletal crossbite requires combined treatment by fixed or removable appliances and orthognathic surgery. In cases of dentoalveolar crossbite, expansion can be achieved with fixed multibrackets and removable ... ...

Abstract	Background: In adult patients, treatment of skeletal crossbite requires combined treatment by fixed or removable appliances and orthognathic surgery. In cases of dentoalveolar crossbite, expansion can be achieved with fixed multibrackets and removable transparent aligners. Various researchers have already assessed the Invisalign system's predictability for arch expansion. However, most of this research was conducted using older appliances, making it necessary to assess the characteristics of the updated system SmartTrack. Material and methods: A sample of 114 patients with transverse malocclusion were treated with SmartTrack. The predictability of the system's software (Clincheck) was assessed by comparing planned measurements (width of canines, premolars and molars rotations and inclinations) with the real measurements achieved at the end of the first treatment phase. Measurements were imported to Clincheck software to create three data sets; T1: initial measurements at start of treatment; T2: Clincheck predicted measurements at end of first treatment phase; T3: measurements taken at start of the second treatment phase. Results: Widths underwent significant advances as a result of treatment. For all widths, virtual planning obtained prognoses of greater expansion than actually achieved: a mean of 0.63 mm more expansion at the canine level (p<0.001), 0.77 mm at first premolar (p<0.001), 0.81 at second premolar (p<0.001), 0.69 mm at first molar (p<0.001), and 0.25 mm at second molar (p = 0.183). All the treatment plan's estimations, with the exception of the second molar, were significantly higher than the actual outcomes. Conclusions: Aligners are an effective tool for producing arch expansion, being more effective in premolar area and less effective in canine and second molar area. Predictability was reasonable for expansion movement. Overcorrection should be considered at the virtual planning stage in order to obtain the expected outcomes.
MeSH term(s)	Adolescent ; Adult ; Aged ; Calibration ; Female ; Humans ; Male ; Malocclusion/therapy ; Middle Aged ; Orthodontic Appliances, Removable ; Software ; Treatment Outcome ; Young Adult
Language	English
Publishing date	2020-12-10
Publishing country	United States
Document type	Journal Article
ISSN	1932-6203
ISSN (online)	1932-6203
DOI	10.1371/journal.pone.0242979
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Article ; Online: The Cholinergic System Contributes to the Immunopathological Progression of Experimental Pulmonary Tuberculosis.

Islas-Weinstein, Leon / Marquina-Castillo, Brenda / Mata-Espinosa, Dulce / Paredes-González, Iris S / Chávez, Jaime / Balboa, Luciana / Marín Franco, José Luis / Guerrero-Romero, Daniel / Barrios-Payan, Jorge Alberto / Hernandez-Pando, Rogelio

Frontiers in immunology

2021 Volume 11, Page(s) 581911

Abstract: The cholinergic system is present in both bacteria and mammals and regulates inflammation during bacterial respiratory infections through neuronal and non-neuronal production of acetylcholine (ACh) and its receptors. However, the presence of this system ... ...

Abstract	The cholinergic system is present in both bacteria and mammals and regulates inflammation during bacterial respiratory infections through neuronal and non-neuronal production of acetylcholine (ACh) and its receptors. However, the presence of this system during the immunopathogenesis of pulmonary tuberculosis (TB)
MeSH term(s)	Acetylcholine/metabolism ; Animals ; Choline O-Acetyltransferase/metabolism ; Cytokines/metabolism ; Disease Models, Animal ; Disease Progression ; Epithelial Cells/metabolism ; Epithelial Cells/pathology ; Inflammation/metabolism ; Inflammation/pathology ; Lung/metabolism ; Lung/pathology ; Macrophages/metabolism ; Macrophages/pathology ; Male ; Mice ; Mice, Inbred BALB C ; Mycobacterium tuberculosis/drug effects ; Neurons/metabolism ; Neurons/pathology ; Nicotinic Antagonists/pharmacology ; Non-Neuronal Cholinergic System/drug effects ; Non-Neuronal Cholinergic System/physiology ; Receptors, Nicotinic/metabolism ; Tuberculosis, Pulmonary/metabolism ; Tuberculosis, Pulmonary/pathology ; Up-Regulation/physiology ; alpha7 Nicotinic Acetylcholine Receptor/metabolism
Chemical Substances	Cytokines ; Nicotinic Antagonists ; Receptors, Nicotinic ; alpha7 Nicotinic Acetylcholine Receptor ; Choline O-Acetyltransferase (EC 2.3.1.6) ; Acetylcholine (N9YNS0M02X)
Language	English
Publishing date	2021-02-18
Publishing country	Switzerland
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2606827-8
ISSN	1664-3224 ; 1664-3224
ISSN (online)	1664-3224
ISSN	1664-3224
DOI	10.3389/fimmu.2020.581911
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Article ; Online: Anti-GM-CSF Neutralizing Autoantibodies in Colombian Patients with Disseminated Cryptococcosis.

Arango-Franco, Carlos A / Migaud, Mélanie / Ramírez-Sánchez, Isabel Cristina / Arango-Bustamante, Karen / Moncada-Vélez, Marcela / Rojas, Julián / Gervais, Adrian / Patiño-Giraldo, Santiago / Perez-Zapata, Lizeth J / Álvarez Álvarez, Jesús A / Orrego, Julio César / Roncancio-Villamil, Gustavo / Boisson-Dupuis, Stéphanie / Jouanguy, Emmanuelle / Abel, Laurent / Casanova, Jean-Laurent / Bustamante, Jacinta / Arias, Andrés A / Franco, José Luis /

Puel, Anne

Journal of clinical immunology

2023 Volume 43, Issue 5, Page(s) 921–932

Abstract: Background: Cryptococcosis is a potentially life-threatening fungal disease caused by encapsulated yeasts of the genus Cryptococcus, mostly C. neoformans or C. gattii. Cryptococcal meningitis is the most frequent clinical manifestation in humans. ... ...

Abstract	Background: Cryptococcosis is a potentially life-threatening fungal disease caused by encapsulated yeasts of the genus Cryptococcus, mostly C. neoformans or C. gattii. Cryptococcal meningitis is the most frequent clinical manifestation in humans. Neutralizing autoantibodies (auto-Abs) against granulocyte-macrophage colony-stimulating factor (GM-CSF) have recently been discovered in otherwise healthy adult patients with cryptococcal meningitis, mostly caused by C. gattii. We hypothesized that three Colombian patients with cryptococcal meningitis caused by C. neoformans in two of them would carry high plasma levels of neutralizing auto-Abs against GM-CSF. Methods: We reviewed medical and laboratory records, performed immunological evaluations, and tested for anti-cytokine auto-Abs three previously healthy HIV-negative adults with disseminated cryptococcosis. Results: Peripheral blood leukocyte subset levels and serum immunoglobulin concentrations were within the normal ranges. We detected high levels of neutralizing auto-Abs against GM-CSF in the plasma of all three patients. Conclusions: We report three Colombian patients with disseminated cryptococcosis associated with neutralizing auto-Abs against GM-CSF. Further studies should evaluate the genetic contribution to anti-GM-CSF autoantibody production and the role of the GM-CSF signaling pathway in the immune response to Cryptococcus spp.
MeSH term(s)	Adult ; Humans ; Granulocyte-Macrophage Colony-Stimulating Factor ; Meningitis, Cryptococcal/diagnosis ; Autoantibodies ; Colombia ; Cryptococcosis/diagnosis ; Cryptococcus neoformans
Chemical Substances	Granulocyte-Macrophage Colony-Stimulating Factor (83869-56-1) ; Autoantibodies
Language	English
Publishing date	2023-02-23
Publishing country	Netherlands
Document type	Review ; Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	779361-3
ISSN	1573-2592 ; 0271-9142
ISSN (online)	1573-2592
ISSN	0271-9142
DOI	10.1007/s10875-023-01451-5
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