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Supplementary material 1 from: Atanasov P, Moneva-Sakelarieva M, Kobakova Y, Obreshkova D, Ivanov I, Chaneva M, Popova M, Petkova V, Ivanova S (2022) Tobacco smokers as target group for complicated coronavirus infection. Pharmacia 69(3): 791-800. https://doi.org/10.3897/pharmacia.69.e91095
Graphical abstract
Figure 6 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 6 Molecular dynamics of Tigogenin and Gitogenin bound to aldose reductase: (a) RMSD, (b) RMSF, (c) Hydrogen bond profile; green-Tigogenin, red-Gitogenin, black-apoprotein.
Supplementary material 1 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
List of molecular weight matched decoys retrieved from DEKOIS 2.0
Figure 5 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 5 HOMO and LUMO distribution plots: (a) HOMO (b) LUMO of Tigogenin (c) HOMO (d) LUMO of Gitogenin.
Figure 4 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 4 Intermolecular interactions of (a) Tigogenin, (b) Gitogenin, (c) Epalrestat with active-site amino acids of the enzyme aldose reductase. All the ligands are shown in all atoms' green-coloured ball and stick-type representations. The names of amino acids with ID numbers are mentioned under each circle around each ligand. On the 2D figures analysis, green-coloured dotted lines indicate hydrogen bonding interactions involving electronegative elements like nitrogen and oxygen atoms; light purple-coloured dotted lines indicate π-alkyl interactions; violet-coloured dotted lines indicate π-sigma interactions. Light green colour amino acids without bonding represent van der Waals interactions, whereas, orange-red colour amino acids indicate unfavourable interactions. The light-blue halo surrounding the interacting residues represents the solvent-accessible surface that is proportional to its diameter.
Figure 1 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 1 The binding site of aldose reductase was predicted using CASTp. The residues highlighted in blue boxes constitute the binding site.
Figure 3 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 3 Analysis and comparison of the predictive power of AutoDock and AutoDock Vina: (a) Receiver operating characteristic curves, (b) Predictiveness curves, (c) Enrichment curves, red is ADock and green is Avina.
Understanding Logical Expressions with Negations: Its Complicated 24
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APPLICATION OF REFLEXOTHERAPY AND TRADITIONAL ORIENTAL GYMNASTICS AT THE OUTPATIENT STAGE OF REHABILITATION OF PATIENTS AFTER COVID-19 COMPLICATED BY PSYCHONEUROLOGICAL DISORDERS
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Performance of Drilled Shaft under Combination of Complicated Loads under Hurricane Event
<p>Corresponding data set for Tran-SET Project No. 18GTTSA02. Abstract of the final report is stated below for reference:</p> <p>"This project includes experimental and numerical studies to investigate and assess the impact of vertical loads on a laterally loaded drilled shaft under various conditions. The experimental study includes lab testing and lab-scale load test to examine a drilled shaft subjected to vertical and lateral loads at a reduced scale. With the data obtained from the lab-scale testing, a numerical model was calibrated, which was used to perform a parametric study to scrutinize the effect of many possible factors such as soil stiffness, soil friction angle, and drilled shaft geometry. With all the factors considered in this study, the vertical load does not show significant impact on the lateral deflection of a drilled shaft unless the lateral force is very high and induces a very large deflection. Based on the outcome of this study, it can be concluded that interaction between vertical and lateral loads might be insignificant when the lateral deflection is no greater than 25 mm (i.e., one inch)."</p>
Text-fig. 4. Skull from Moča (Komárno district, southern Slovakia), details: a) The osteoma on the left side of frontal bone, b) The upper part of the face: the complicated supranasal suture, a pair of tubercles occurring bilaterally next to the supranasal suture, bilateral frontal notches, a small tubercle located above the left infraorbital foramen, the internasal suture, bilaterally visible zygomaxillary tubercles, c) The suprameatal crest, d) The zygomaticofrontal suture and postglenoidale tubercle, e) Os asteriacum on the left side, f) Lesions on the posterior part of the left parietal bone, g) Intensively worn maxillary teeth. in A Late Upper Palaeolithic Skull From Moča (The Slovak Republic) In The Context Of Central Europe
Text-fig. 4. Skull from Moča (Komárno district, southern Slovakia), details: a) The osteoma on the left side of frontal bone, b) The upper part of the face: the complicated supranasal suture, a pair of tubercles occurring bilaterally next to the supranasal suture, bilateral frontal notches, a small tubercle located above the left infraorbital foramen, the internasal suture, bilaterally visible zygomaxillary tubercles, c) The suprameatal crest, d) The zygomaticofrontal suture and postglenoidale tubercle, e) Os asteriacum on the left side, f) Lesions on the posterior part of the left parietal bone, g) Intensively worn maxillary teeth.
"Not taken seriously" A qualitative interview study of postpartum Rwandan woman who have experienced pregnancy-related complications.
<p>The uploaded data were collected through individual in-depth interviews (N = 15). Participants who experienced complications such as postpartum haemorrhage, caesarean section due to prolonged labour/dystocia, pre-eclampsia, or fistula and who were 13–24 months postpartum were invited to participate in the study in July 2015. Interviews were held in Kinyarwanda, digitally recorded, transcribed verbatim, translated into English.This study aimed to investigate women’s experiences and perceptions of specific complications during pregnancy and delivery and the consequences of these complications on postpartum health and family situation</p>
Chatbot on the Prevention of Postoperative Complications
ClinicalTrials.gov study NCT06624995. IPD Sharing: NO. Countries: 0. Publications: 0.
Does Antibiotic Prophylaxis Reduce Wound Complications After Vulvar Excision of Premalignant Lesions
ClinicalTrials.gov study NCT03578965. IPD Sharing: NO. Countries: 1. Publications: 0.
GSK2251052 in the Treatment of Complicated Intra-abdominal Infections
ClinicalTrials.gov study NCT01381562. IPD Sharing: Not stated. Countries: 7. Publications: 0.
AI Risk Assessment Model for Complication Prevention in Plastic Surgery (Artificial Intelligence)
ClinicalTrials.gov study NCT06507384. IPD Sharing: YES. Countries: 1. Publications: 0.
The Correlation Between Red Cell Transfusion and Complications of Prematurity
ClinicalTrials.gov study NCT07123948. IPD Sharing: NO. Countries: 1. Publications: 0.
AssocIation of PULSatility and Occurrence of Complications Related to Mechanically Assisted Circulatory Support
ClinicalTrials.gov study NCT04951999. IPD Sharing: YES. Countries: 1. Publications: 0.
Botulinum Toxin Type A in Preventing Complications After Surgery in Patients With Esophageal Cancer
ClinicalTrials.gov study NCT02965976. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Effect of Steroids on Post-Operative Complications Following Proximal Hypospadias Repair
ClinicalTrials.gov study NCT02162810. IPD Sharing: Not stated. Countries: 1. Publications: 0.
ScienceDex guides
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.