cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.29616913
title: Computational and structural analysis of FliC–TLR5 interaction, a key for immunity against <i>Clostridium chauvoei</i> infection

description: Deciphering intricacies of the immune response to <i>Clostridium chauvoei</i> is critical for developing effective vaccines and therapeutic strategies against blackleg in ruminants. Flagellin (FliC), a key virulence factor, facilitates bacterial motility and acts as a pathogen-associated molecular pattern (PAMP), eliciting host immune responses through Toll-like receptor 5 (TLR5). Building on this, a computational analysis of FliC from diverse <i>C. chauvoei</i> strains was conducted to identify conserved immunogenic regions and assess its interaction with TLR5 in <i>Bos taurus</i> and <i>Ovis aries</i>. Multiple sequence alignment revealed conserved N- and C-terminal domains flanking a hypervariable central region. Immuno-informatic analysis predicted 13 B-cell epitopes, two of which were highly conserved and represent promising candidates for cross-protective vaccine development. Structural models of FliC and TLR5 receptors were predicted and validated for reliability. Subsequent docking and molecular dynamics simulations demonstrated a stronger and more stable interaction between FliC and <i>Bos taurus</i> TLR5, supported by favourable binding energy (−69.85 ± 3.70 kcal/mol), highlighting species-specific immune recognition. These findings establish FliC as a potential subunit vaccine candidate and provide insights into host-specific immune responses, contributing to the development of flagellin based immuno-therapeutics to combat blackleg disease in ruminants.
DOI: 10.6084/m9.figshare.29616913.v1
title: Computational and structural analysis of FliC–TLR5 interaction, a key for immunity against <i>Clostridium chauvoei</i> infection

description: Deciphering intricacies of the immune response to <i>Clostridium chauvoei</i> is critical for developing effective vaccines and therapeutic strategies against blackleg in ruminants. Flagellin (FliC), a key virulence factor, facilitates bacterial motility and acts as a pathogen-associated molecular pattern (PAMP), eliciting host immune responses through Toll-like receptor 5 (TLR5). Building on this, a computational analysis of FliC from diverse <i>C. chauvoei</i> strains was conducted to identify conserved immunogenic regions and assess its interaction with TLR5 in <i>Bos taurus</i> and <i>Ovis aries</i>. Multiple sequence alignment revealed conserved N- and C-terminal domains flanking a hypervariable central region. Immuno-informatic analysis predicted 13 B-cell epitopes, two of which were highly conserved and represent promising candidates for cross-protective vaccine development. Structural models of FliC and TLR5 receptors were predicted and validated for reliability. Subsequent docking and molecular dynamics simulations demonstrated a stronger and more stable interaction between FliC and <i>Bos taurus</i> TLR5, supported by favourable binding energy (−69.85 ± 3.70 kcal/mol), highlighting species-specific immune recognition. These findings establish FliC as a potential subunit vaccine candidate and provide insights into host-specific immune responses, contributing to the development of flagellin based immuno-therapeutics to combat blackleg disease in ruminants.
DOI: 10.17182/hepdata.48138.v1/t1
title: "Table 1" of "A Measurement of the tau leptonic branching fractions"

description: Axis error includes +- 0.23/0.23 contribution (Data statistics).
description: CERN-LEP. DELPHI Collaboration. Measurement of the TAU leptonic branching fractions.
DOI: 10.17182/hepdata.48138.v1/t2
title: "Table 2" of "A Measurement of the tau leptonic branching fractions"

description: Axis error includes +- 0.19/0.19 contribution (Data statistics).
description: CERN-LEP. DELPHI Collaboration. Measurement of the TAU leptonic branching fractions.
DOI: 10.17182/hepdata.48138.v1/t3
title: "Table 3" of "A Measurement of the tau leptonic branching fractions"

description: Combined from the two branching fractions above. E-MU universality assumed.
description: CERN-LEP. DELPHI Collaboration. Measurement of the TAU leptonic branching fractions.
DOI: 10.17182/hepdata.48152.v1/t1
title: "Table 1" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: No description provided.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.17182/hepdata.48152.v1/t2
title: "Table 2" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: Average multiplicity per hadronic event. Extrapolation to the full X range.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.17182/hepdata.48152.v1/t3
title: "Table 3" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: No description provided.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.17182/hepdata.48152.v1/t4
title: "Table 4" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: Average multiplicity per hadronic event. Extrapolation to the full X range.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.17182/hepdata.48152.v1/t5
title: "Table 5" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: No description provided.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.6084/m9.figshare.29237131
title: Bioprospecting potential, metabolic profiling, and molecular docking studies of metabolites from endophytic fungi associated with <i>Teucrium stocksianum</i>

description: Endophytic fungi associated with <i>Tecurium stocksianum</i> signify under-explored repository of promising biologically active metabolites. The aim of this current research was to identify endophytic fungi with antimicrobial properties that are linked to <i>T. stocksianum</i>. Natural compounds found in plants have demonstrated significant potential, but often, the levels of these bioactive substances in plant tissues are insufficient. To tackle this challenge, the study sought to uncover and utilize endophytes. Following cultivation, crude ethyl acetate extracts of the endophytes were screened for antimicrobial, antioxidant, cytotoxic activities and subjected to high resolution LCMS characterization. Among nine of the isolated endophytic fungi, two isolates HS11 and HS12 expressed significant biological activities. Metabolic profiling of the partially purified ethyl acetate extract of the isolate HS12 <i>Fusarium oxysporium</i> led to the detection of potent bioactive molecules, i.e. (5ξ)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid, 2,2′-Methylenebis(4-methyl-6-tert-butyl phenol, L-Phenylalanine and 7-Methoxycoumarin-4-acetic acid. These metabolites have been investigated <i>via</i> molecular docking strategy against a conserved antibiotic resistance protein target of ESKAPE pathogens. Molecular dynamics simulation has further validated these complexes and has been inferred that 2 complex systems are more stable than the (5ξ)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid complex system in a 100 ns time scale. Results inferred high binding affinities of the compounds against the target molecule. Thus, our study demonstrates promising bio-prospecting potential of endophytic fungi associated with <i>T. stocksianum</i> and advocates up-scaling for compound isolation studies; in particular; from candidate HS12 <i>F. oxysporium.</i>
DOI: 10.6084/m9.figshare.29237131.v1
title: Bioprospecting potential, metabolic profiling, and molecular docking studies of metabolites from endophytic fungi associated with <i>Teucrium stocksianum</i>

description: Endophytic fungi associated with <i>Tecurium stocksianum</i> signify under-explored repository of promising biologically active metabolites. The aim of this current research was to identify endophytic fungi with antimicrobial properties that are linked to <i>T. stocksianum</i>. Natural compounds found in plants have demonstrated significant potential, but often, the levels of these bioactive substances in plant tissues are insufficient. To tackle this challenge, the study sought to uncover and utilize endophytes. Following cultivation, crude ethyl acetate extracts of the endophytes were screened for antimicrobial, antioxidant, cytotoxic activities and subjected to high resolution LCMS characterization. Among nine of the isolated endophytic fungi, two isolates HS11 and HS12 expressed significant biological activities. Metabolic profiling of the partially purified ethyl acetate extract of the isolate HS12 <i>Fusarium oxysporium</i> led to the detection of potent bioactive molecules, i.e. (5ξ)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid, 2,2′-Methylenebis(4-methyl-6-tert-butyl phenol, L-Phenylalanine and 7-Methoxycoumarin-4-acetic acid. These metabolites have been investigated <i>via</i> molecular docking strategy against a conserved antibiotic resistance protein target of ESKAPE pathogens. Molecular dynamics simulation has further validated these complexes and has been inferred that 2 complex systems are more stable than the (5ξ)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid complex system in a 100 ns time scale. Results inferred high binding affinities of the compounds against the target molecule. Thus, our study demonstrates promising bio-prospecting potential of endophytic fungi associated with <i>T. stocksianum</i> and advocates up-scaling for compound isolation studies; in particular; from candidate HS12 <i>F. oxysporium.</i>
DOI: 10.17182/hepdata.48152.v1/t6
title: "Table 6" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: Average multiplicity per hadronic event. Extrapolation to the full X range.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.17182/hepdata.48152.v1/t7
title: "Table 7" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: No description provided.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.17182/hepdata.48152.v1/t8
title: "Table 8" of "Inclusive production of neutral vector mesons in hadronic Z decays"

description: Average multiplicity per hadronic event. Extrapolation to the full X range.
description: CERN-LEP. Inclusive production data of the neutral vector mesons RHO0(770), OMEGA(782), K*0(892) AND PHI(1020) in hadronic Z decays with the ALEPH detector.
DOI: 10.5281/zenodo.17523064
title: Dataset ejemplo de datos recabados en Hatemedia

description: Dataset de ejemplo de mensajes anonimizados y etiquetados en Hatemedia, correspondiente al año 1 del proyecto Hatemedia PID2020-114584GB-I00) en 2021, financiado por MCIN/AEI/10.13039/501100011033. El proceso de etiquetado manual realizado según la metodología mostrada en esta infografía. 

Este dataset se publica con fines únicamente educativos y está siendo empleado por el Máster Universitario en Inteligencia Artificial de la UNIR como referencia para parte de las actividades del máster.

Más información del proyecto Hatemedia: https://hatemedia.es/conoce-proyectos/
DOI: 10.17182/hepdata.48153.v1/t1
title: "Table 1" of "Delta++ production in hadronic Z0 decays"

description: No description provided.
description: CERN-LEP. Delta++ production in hadronic Z0 decays.
DOI: 10.17182/hepdata.48154.v1/t2
title: "Table 2" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: No description provided.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.5281/zenodo.17523063
title: Dataset ejemplo de datos recabados en Hatemedia

description: Dataset de ejemplo de mensajes anonimizados y etiquetados en Hatemedia, correspondiente al año 1 del proyecto Hatemedia PID2020-114584GB-I00) en 2021, financiado por MCIN/AEI/10.13039/501100011033. El proceso de etiquetado manual realizado según la metodología mostrada en esta infografía. 

Este dataset se publica con fines únicamente educativos y está siendo empleado por el Máster Universitario en Inteligencia Artificial de la UNIR como referencia para parte de las actividades del máster.

Más información del proyecto Hatemedia: https://hatemedia.es/conoce-proyectos/
DOI: 10.6084/m9.figshare.25429263
title: Unveiling therapeutic prospects: targeting MDM-2 in non-muscle invasive bladder cancer

description: Non-muscle invasive bladder cancer (NMIBC) is considered one of the most costly malignancies, requiring significant surgical and therapeutic measures. However, progression and non-responsiveness to immunotherapy are common outcomes of treatment. In this study, we conducted comparative transcriptomic analysis of non-responders from two distinct populations (Asian and American) and identified six common genes associated with disease prognosis. Among these genes, MDM-2 is a major oncogenic protein linked to seven different types of cancers, as it is involved in the degradation of the tumor suppressor protein p53. To address this, we explored novel therapeutic drugs to block the binding of p53 and MDM-2 using a targeted molecular docking approach. High-throughput screening of 2500 drugs from the FDA-approved drug database led to the identification of three drug compounds: Mol-126, Mol-679, and Mol-768. Subsequently, we evaluated the structural stability and binding of these drugs for the targeted inhibition of the MDM-2 active site (hydrophobic cleft) using molecular dynamics simulations. Analysis of five trajectories, including RMSD, RMSF, hydrogen bond, radius of gyration, coulomb short-range electrostatic spectra, and free binding energy, confirmed that Mol-126 exhibited the highest structural stability compared to the reference drug (Alrizomadlin). Notably, Mol-126 is a derivative of 3-phenoxypropionic acid, which shows promise for the development of alternative therapeutic treatments for non-responsive bladder cancer patients.
DOI: 10.6084/m9.figshare.25429263.v1
title: Unveiling therapeutic prospects: targeting MDM-2 in non-muscle invasive bladder cancer

description: Non-muscle invasive bladder cancer (NMIBC) is considered one of the most costly malignancies, requiring significant surgical and therapeutic measures. However, progression and non-responsiveness to immunotherapy are common outcomes of treatment. In this study, we conducted comparative transcriptomic analysis of non-responders from two distinct populations (Asian and American) and identified six common genes associated with disease prognosis. Among these genes, MDM-2 is a major oncogenic protein linked to seven different types of cancers, as it is involved in the degradation of the tumor suppressor protein p53. To address this, we explored novel therapeutic drugs to block the binding of p53 and MDM-2 using a targeted molecular docking approach. High-throughput screening of 2500 drugs from the FDA-approved drug database led to the identification of three drug compounds: Mol-126, Mol-679, and Mol-768. Subsequently, we evaluated the structural stability and binding of these drugs for the targeted inhibition of the MDM-2 active site (hydrophobic cleft) using molecular dynamics simulations. Analysis of five trajectories, including RMSD, RMSF, hydrogen bond, radius of gyration, coulomb short-range electrostatic spectra, and free binding energy, confirmed that Mol-126 exhibited the highest structural stability compared to the reference drug (Alrizomadlin). Notably, Mol-126 is a derivative of 3-phenoxypropionic acid, which shows promise for the development of alternative therapeutic treatments for non-responsive bladder cancer patients.
DOI: 10.17182/hepdata.48154.v1/t1
title: "Table 1" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: STATISTICAL ERRORS ONLY.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t3
title: "Table 3" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: JACKSON FRAME.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t4
title: "Table 4" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: HELICITY FRAME.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t5
title: "Table 5" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: JACKSON FRAME.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t6
title: "Table 6" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: HELICITY FRAME.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t10
title: "Table 10" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: No description provided.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t9
title: "Table 9" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: No description provided.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t11
title: "Table 11" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: No description provided.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t12
title: "Table 12" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: JACKSON FRAME.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t7
title: "Table 7" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: JACKSON FRAME. FINE BINS IN -T &lt; 0.1 GEV**2.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.17182/hepdata.48154.v1/t8
title: "Table 8" of "Study of Vector Meson Baryon Resonance Production in pi+ p Interactions at 7.1-GeV/c"

description: HELICITY FRAME. FINE BINS IN -T &lt; 0.1 GEV**2.
description: SEE ALSO PL 57B, 384 (1975). SLAC 82 IN HBC. THE HIGH MASS DELTA RESONANCE IS ENCODED AS DEL(1950F37)++, THE AUTHORS CALL IT DELTA(1880). THEY FIND THE MASS = 1881.2 +- 5.5 MEV, WIDTH = 219 +- 23 MEV WITH PROBABLY J = 7/2 POSITIVE PARITY.
DOI: 10.6084/m9.figshare.25205405
title: Charge cluster occurrence in land plants’ mitochondrial proteomes with functional and structural insights

description: The Charge Clusters (CCs) are involved in key functions and are distributed according to the organism, the protein’s type, and the charge of amino acids. In the present study, we have explored the occurrence, position, and annotation as a first large-scale study of the CCs in land plants mitochondrial proteomes. A new python script was used for data curation. The Finding Clusters Charge in Protein Sequences Program was performed after adjusting the reading window size. A 44316 protein sequences belonging to 52 species of land plants were analysed. The occurrence of Negative Charge Clusters (NCCs) (1.2%) is two times more frequent than the Positive Charge Clusters (PCCs) (0.64%). Moreover, 39 and 30 NCCs were conserved in 88 and 41 proteins in intra and in inter proteomes respectively, while 14 and 21 PCCs were conserved in 53 and 85 protein sequences in intra and inter proteomes consecutively. Sequences carrying mixed CCs are rare (0.12%). Despite this low abundance, CCs play a crucial role in protein function. The CCs tend to be located mainly in the terminal regions of proteins which guarantees specific protein targeting and import into the mitochondria. In addition, the functional annotation of CCs according to Gene Ontology shows that CCs are involved in binding functions of either proteins or macromolecules which are deployed in different metabolic and cellular processes such as RNA editing and transcription. This study may provide valuable information while considering the CCs in understanding the environmental adaptation of plants.