bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure based High-Throughput Virtual Screening, Molecular Docking and Molecular Dynamics Study of anticancer natural compounds against Fimbriae (FimA) protein of Porphyromonas gingivalis in oral squamous cell carcinoma
Authors: Singh Suchitra , Yadav Piyush Kumar , Singh Ajay Kumar 
Published: January 2023

Abstract
Oral cancer is the eighth most common cancer in the world. Tobacco, alcohol, and viruses have been regarded as a well- known risk factors of OCC however, 15% of OSCC cases occurred each year without these known risk factors. Recently a myriad of studies has shown that bacterial infection leads to cancer. Accumulated shreds of evidence demonstrate the role of P. gingivalis in OSCC. The virulence factor FimA of P. gingivalis activated the oncogenic pathways of OSCC by upregulating various cytokines. It also led to the inactivation of a tumor suppressor protein p53 and the activation of the Matrix-metalloproteinase protein 9 (MMP9). The present Insilico study uses High-Throughput Virtual Screening, molecular docking, and molecular dynamics techniques to find the potential compounds against the target protein FimA. The goal of this study is to identify the anti-cancer lead compounds retrieved from natural sources that can be used to develop potent drug molecules to treat P.gingivalis-related OSCC. The anticancer natural compounds library was screened to identify the potential lead compounds. Further, these lead compounds were subjected to precise docking, and based on the docking score potential lead compounds were identified. The top docked receptor-ligand complex was subjected to molecular dynamics simulation. A study of this Insilco finding provides potent lead molecules which help in the development of therapeutic drugs against the target protein FimA in OSCC.
Regional Cerebral Oxygen Saturation and Estimated Oxygen Extraction Ratio as Predictive Markers of Major Adverse Events in Pediatric Cardiac Patients
Authors: Kimura Satoshi , Shimizu Kazuyoshi , Izumi Kaoru , Kanazawa Tomoyuki , Mizuno Keiichiro , Iwasaki Tatsuo , Morimatsu Hiroshi 
Published: January 2023

Abstract
Regional cerebral oxygen saturation (ScO2) determined by near-infrared spectroscopy, monitoring both arterial and venous blood oxygenation of the brain, could reflect the balance between oxygen delivery and consumption. The aim of this study was to determine the predictabilities of ScO2 and estimated oxygen extraction ratio (eO2ER) with outcomes in pediatric patients with congenital heart disease (CHD). This study was a two-center, retrospective study of patients at 12 months of age or younger with CHD who underwent cardiac surgery. The primary outcome was a composite of one or more major adverse events (MAEs) after surgery: death from any cause, circulatory collapse that needed cardiopulmonary resuscitation, and requirement for extracorporeal membrane oxygenation. Based on the assumptions of arterial to venous blood ratio, eO2ER was calculated. A total of 647 cases were included in this study. MAEs occurred in 16 patients (2.5%). There were significant differences in the average post-bypass ScO2 [46.61 (40.90, 52.05) vs. 58.52 (51.52, 66.08), p < 0.001] and the average post-bypass eO2ER [0.66 (0.60, 0.78) vs. 0.52 (0.43, 0.61), p < 0.001] between patients with MAEs and patients without MAEs. Area under the receiver operating curve (AUROC) of the average of post-bypass ScO2 was 0.818 (95% confidence interval: 0.747–0.889), AUROC of the average of post-bypass eO2ER was 0.783 (0.697–0.870) and AUROC of post-bypass maximum serum lactate level was 0.635 (0.525–0.746). Both ScO2 and eO2ER, especially after weaning off bypass, are acceptable predictive markers for predicting MAEs after cardiac surgery in infants.
ZBTB5 enhances the resistance of cervical cancer to paclitaxel by regulating BCL6
Authors: He Yue , Zhang Jing-Jing , Xu Jian-Qing , Wang Yun-Fan , Ji Chen , Liu Yang , Han Su-Bin , Wang Ming , Wang Yan , Wu Yu-Mei 
Published: January 2023

Abstract
PURPOSE: To preliminarily clarify the mechanism of paclitaxel (PTX) resistance in cervical squamous cell carcinoma with the involvement of ZBTB5.
RESULTS: 1) Overexpression of ZBTB5 was cultured in PTX, and immunofluorescence showed that overexpression of ZBTB5 enhanced cervical squamous cell carcinoma resistance to PTX by functioning in the cell nucleus. 2) ZBTB5knockdown inhibited cell cloningand proliferation and enhanced apoptosis of cervical squamous carcinoma cells in PTX and reduced resistance to PTX in SiHa cells compared with the non-knockdown group (p < 0.05). 3) A ChIP assay was performed after overexpression of ZBTB5, which suggested that the BCL6 gene is located 395 kb from the TSS region and may be regulated by ZBTB5, which may be the promoter of BCL6. This result was consistent with that of the IPA bioinformatics analysis. 4) Further in-gel enzymatic digestion and shotgun-mass spectrometry protein identification were performed after Co-IP, and 322 differential proteins were identified in the overexpression group. Bioinformatics analysis of different proteins was conducted and 13 proteins were selected for validation: U2AF2, RBM5, ILK, ENAH, JUP, RELA/P65, SQSTM1, YY1, STIM1, Integrin alpha V, EED, SUGT1, and NFKB1. Among them, U2AF2 was successfully detected in the input, suggesting a possible interaction of ZBTB5 with U2AF2.
CONCLUSION: There is a protein–protein interaction between ZBTB5 and U2AF2, and ZBTB5 is involved in PTX resistance in cervical squamous cell carcinoma by regulating BCL6. It was hypothesized that ZBTB5 may form a transcriptional complex with U2AF2 to regulate BCL6 to affect tumor cell proliferation and participate in PTX resistance in cervical squamous cell carcinoma.
Tailoring of Defocused Point Spread Function of Asymmetrically Apodized Four Zone Aperture Optical Imaging System in the presence of Primary Spherical Aberration
Authors: Rani S. Vidya , Anitha P. , Sabitha N. , Sagar D. Karuna 
Published: January 2023

Abstract
In this paper we present the attempts made for the improvement of the resolution of an optical system in the presence of higher orders of defocus and primary spherical aberration function by introducing four level asymmetric filters of Triangular, Connes, Polynomial and Hanning. Four zone aperture shading amplitude in each zone have been tested for better results. Using the above four filters placing Triangular filter in the inner zone, Connes filter in the second zone, Polynomial filter in the third zone and Hanning filter in the outer zone at higher degrees of both defocusing and primary spherical aberration situation provides the optical system to achieve super-resolver state. The highest degree of the amplitude apodization improves the lateral resolution of the central maxima and suppression of side lobes which helps to study the two point resolution.
CircTPST2 inhibits cisplatin sensitivity in head and neck squamous cell carcinoma by sponging miR-770-5p and interacting with Nucleolin
Authors: Wang Tianqing , Xin Chuan , Zhang Shiyu , Shi Yujie , Zhou Xikun , Tian Xin , Yang Dan , Ren Yuan , Hu Yuting , Hua Yufei , Wang Ying , Wang Jiongke , Ji Ning , Chen Qianming , Zeng Xin , Li Jing 
Published: January 2023

Abstract
Background: Head and neck squamous cell cancer (HNSCC) is the most prevalent head and neck malignancy. Chemoresistance is a major challenge in the treatment of advanced HNSCC. Circular RNAs (circRNAs) are essential for the development of cancer and chemoresistance. The role and mechanism of circRNAs in the regulation of HNSCC chemoresistance are much less explored.
Methods: CircRNA microarray analysis was used to detect differentially expressed circRNAs in HNSCC. The expression of circTPST2 and miRNAs in HNSCC cells was assessed by qPCR, and the ring structure of circTPST2 was examined using Sanger sequencing, RNase R, and actinomycin D assays. MiR-770-5p and Nucleolin were found to be downstream target molecules of circTPST2 by Western blotting, biotin-labeled RNA pulldown, RNA immunoprecipitation, mass spectrometry, and rescue experiments. Then, the chemoresistance ability of circTPST2, miR-770-5p and Nucleolin was examined through functional tests such as CCK8 assays and flow cytometry assays. FISH assays were performed to determine the location of circTPST2, miR-770-5p, and Nucleolin. IHC staining assays were applied to detect the expression of circTPST2 and Nucleolin in HNSCC patients.
Results: The expression level of circTPST2 was negatively related to the cisplatin sensitivity of HNSCC cell lines. Notably, the expression of circTPST2 was negatively correlated with the overall survival rate of chemotherapeutic patients with HNSCC. Mechanistically, circTPST2 could reduce the cisplatin sensitivity of HNSCC cells through sponge-like adsorption of miR-770-5p, and it could also interact with and upregulate the downstream protein Nucleolin to regulate cisplatin sensitivity in HNSCC cells. Finally, according to the analysis of the TCGA database, the prognosis of patients with high miR-770-5p expression is better after chemotherapy. In contrast, according to the analysis of our HNSCC cohorts, the prognosis of patients with low Nucleolin protein expression is better after chemotherapy.
Conclusion: Our results identified the chemotherapy resistance-related circRNA circTPST2, indicating that circTPST2 may serve as a promising chemotherapy regimen selection marker in HNSCC.
Hemodynamic Assessment of a Vascular Diseased Model with Therapeutic Nanoparticles
Authors: Rathore Surabhi , Srik D. 
Published: January 2023

Abstract
Nanotechnology has numerous medical uses, including the diagnosis,treatment, and prevention of cardiovascular diseases. Physical abnormalities or heart and blood vessel malfunction are the major causes of heart attacks andstrokes worldwide. Mathematical modeling could help us better understand thesephysiological conditions. Therefore, we present mathematical modeling of a non-Newtonian fluid with therapeutic nanoparticles for a diseased model. In this study,nanoparticles were introduced into a blood vessel using a catheter, and a pressuregradient drove flow within the flow geometry. The perturbation method is used tosolve the resulting mathematical model with permeable flow boundary conditions.A detailed discussion of blood flow analysis is presented, in which temperature andconcentration dispersion, as well as flow field characteristics, are studied. Thesefindings indicate that it is important to understand the effects of therapeuticnanoparticles on physiological properties and pathological conditions.
PACS 5A01 · 65L10 · 65L12 · 65L20 · 65L70
HCV knowledge and attitudes among HIV-negative MSM and MSM living with HIV in China: results from a cross-sectional online survey
Authors: Xu Wenqian , Zhao Peizhen , Li Haiyi , Wang Cheng 
Published: January 2023

Abstract
Background
Men who have sex with men (MSM) are at high risk of hepatitis C virus (HCV) infection, especially for those living with human immunodeficiency virus (HIV). Learning about HCV-related knowledge and attitudes of MSM is essential to inform health promotion interventions development.
Methods
A cross-sectional survey was conducted across seven provinces of China from December 2021 to January 2022. All MSM living with HIV were recruited offline, whereas the recruitment ratios for HIV-negative MSM were half online and half offline. Data on socio-demographic characteristics, sexual behaviors, knowledge and attitudes about HCV were collected through an online survey. Multivariable logistic regressions were used to determine associated factors.
Results
Only 39.3% (33/84) of HIV-negative men and 44.0% (37/84) of men living with HIV had a good level of HCV knowledge. One-third (32.1%, 27/84) of HIV-negative men and 41.7% (35/84) of men living with HIV reported a positive attitude towards HCV. For HIV-negative men, positive attitude was associated with multiple sexual partners (aOR: 5.8, 95%CI:1.9–18.1) and recreational substances use (aOR: 3.1, 95%CI: 1.0-9.4). For men living with HIV, knowledge was associated with disclosing sexual orientation (aOR: 7.0, 1.9–26.0), multiple sexual partners (aOR: 0.2, 0.1-1.0), recreational substances use (aOR: 3.7, 95%CI: 1.1–13.1) and HBV testing history (aOR: 7.3, 95%CI: 1.6–32.7); positive attitude was associated with the use of recreational substances (aOR: 3.1, 95%CI: 1.1-9.0).
Conclusions
The majority of Chinese MSM showed inadequate knowledge and negative attitude about HCV irrespective of HIV infection status. More tailored education campaigns and multicomponent interventions are required.
Hepatoprotective effect of miRNA-544 against LPS-induced septic mice by inhibiting the IKK/NF-κB signal pathway
Authors: Guan Songmei , Ye Zhirong , Miao Huilai , Gong Xiaobao , Zhao Jiasheng , Duan Shigang 
Published: January 2023

Abstract
Aim: To explore the hepatoprotective effects and mechanism of miRNA-544 in septic mice, C57BL/6J mice were intraperitoneally injected with lipopolysaccharide (LPS, 5 mg/kg) and treated with miR-544 inhibitors and mimics.
Methods: The aspartate aminotransferase (AST), alanine aminotransferase (ALT) activities and total bilirubin (TBIL) levels were measured by automatic biochemical analyzer. The expression of proteins (MCP-1, CD16/32 and NF-κB inflammatory signaling pathways) and genes (inflammatory factors TNF-α, IL-6 and IL-1β)were measured by immunohistochemistry, western blot, qRT-PCR and ELISA.
Results:The results indicated that miR-544 significantly reduced the level of ALT, AST and TBIL in serum and liver. Meanwhile, miR-544 attenuated the aggravation of inflammation by inhibiting MCP-1 and CD16/32, and suppressed IKK/NF-κB signal pathway by inhibiting the phosphorylation of IKK, IκB and NF-κB, thereby affecting the expression of inflammatory factors.
Conclusions: miR-544 can attenuate LPS-induced liver injury in mice with sepsis via inhibiting the IKK/NF-κB signal pathway, and it is a potential candidate marker and therapeutic target for sepsis-induced liver injury.
Evaluation of Anti-cancer Effect of Carotenoids Produced by A Halophilic Archaeon, Haloarcula Sp. Strain A15 Isolated from Saline Environment of Iran on Breast Cancer Cells
Authors: Shahbazi Saghar , Zargar Mohsen , Zolfaghari Mohammad Reza , Amoozegar Mohammad Ali 
Published: January 2023

Abstract
The halophilic microorganisms living in Extreme environments contain high concentrations of carotenoids with notable medical abilities. We evaluated the anti-cancer activity of carotenoids extracted from native Iranian halophilic microorganisms with the ability to inhibit breast cancer cell line. To begin the study, 40 halophilic strains were cultured and eight strains capable of producing pigmented colonies were chosen from among those cultured strains. In the next step, from among eight strains using MTT assay, one of them capable of reducing cell viability of the breast cancer MCF-7 cell line was chosen as a selective strain. The principal carotenoid was characterized based on the UV-Visible, FT-IR spectroscopic and LC-MASS analyses. Using Real time PCR technique, the expression of genes specific for apoptosis, in the presence or absence of carotenoid was examined. Among all strains, carotenoid extracted from strain A15 showed the strongest cytotoxic effect on breast cancer cell line (IC50 = 0.0625 mg/mL). 16S rRNA analysis indicated that strain A15 showed similarity with Haloarcula hispanica for about 99.5%. According to the results of the analysis, we can estimate that the principal carotenoid extracted form Haloarcula sp. strain A15 was similar to bacterioruberin. Both late and early apoptosis were increased significantly about 10% and 39%, respectively as a result of up-regulation of CASP3, CASP8, BAX genes expression in MCF-7 cell line. In contrast, the expression of genes MKI67, SOX2 were significantly down-regulated in treated MCF-7 cell line. Halophilic archaeon strain could be a good option to produce high added-value bacterioruberin due to its possible anti-cancer properties.
Underage alcohol consumption in Ghana: A threat to child welfare and development
Authors: Kyei-Gyamfi Sylvester 
Published: January 2023

Abstract

This study examined information regarding prevalence of children ever drinking alcohol, ever been drank, number of times they have taken alcohol, who first introduced them to it, and what they perceived as the effects of alcohol on children. A cross-sectional convergent parallel mixed method was used to study 5024 children aged 8 to 17 in Ghana. This study found that alcohol consumption was less prevalent among the children, but in terms of age higher in older adolescents, and regarding sex prevalent in males than females. More than six in ten have ever been drunk after consuming alcohol, and more than half the children who reported ever taking alcohol were first initiated into consumption by friends. The results show that despite the existence of law, policy, and national institutional mechanisms in place, efforts made to regulate sale and consumption of alcohol among children has been a challenge. Children in certain parts of the country still buy and consume alcohol freely without restrictions. Based on this, national institutions in charge of child protection are enjoined to enhance their monitoring, investigative, arrest and awareness raising operations to dissuade and restrict minors from alcohol sale and consumption.
THE DEVELOPMENT OF AN ALTERNATIVE GROWTH CHART FOR ESTIMATED FETAL WEIGHT IN THE ABSENCE OF ULTRASOUND: APPLICATION IN INDONESIA
Authors: Papilaya Felicia Beta 
Published: January 2023

Various development of fetus can be monitored by ultrasound, including estimated fetal weight. Estimated fetal weight is used to estimate the expected (normal) birth weight and it is also one of the critical indicators for assessing fetal risk during pregnancy. Meanwhile, ultrasound is not always available in health care centers in Indonesia. In this journal, Anggraini et al conducted a study to develop growth chart used to predict fetal weight in the absence of ultrasound.
The study consists of several steps. The first step is a comparison study that took place in South Kalimantan, Indonesia, involving 19 pregnant women. This was carried out between the existing and the proposed models. The existing models were developed based on data recorded within one week of delivery and within 14 days of the last ultrasound scan, while the proposed model: EFW (g) = 109.16FH -272 [Eq.1] was developed based on FH measurement recorded between 35 and 41 weeks (before delivery) and actual birth weight. The results show that the proposed model is significantly more capable (less error) than the existing models in predicting fetal weight during pregnancy, even at earlier GAs. It also can be seen that the prediction errors are less pronounced when the pregnancy reaches advanced GAs.
The second step is a study that aims to develop an alternative fetal growth chart for EFW that does not use an ultrasound-based weight prediction model, the proposed clinical model, based only on FH measurement [Eq (1)], was used to estimate the fetal weight at a given GA. A total of 402 women are participating in this study. In this research, the proposed clinical quadratic EFW-GA model: EFW = 137.173GA - 1:035 GA2 - 675:199 [Eq.2] was used to develop the chart. This model was compared with the existing model through several analysis.
Overall, this study shows that the proposed clinical model is more reliable than the existing model in predicting fetal weight. It is even more effective at earlier GAs than the existing models. Therefore, the proposed model could be an alternative model to estimate fetal weight and develop a suitable fetal growth chart. This alternative chart is going to be significantly useful for health care workers to do fetal risk assessment during pregnancy in rural areas with low resources, so that fetal growth abnormalities can be reduced. At this point, this study will also help the government to reduce neonatal mortality.
NR2F1-AS1: A Functional Long Noncoding RNA in Tumorigenesis
Authors: Hu Jiahui , Peng Fan , Qiu Xinyan , Yang Jingjie , Li Jing , Shen Chuyue , Yuan Chengfu 
Published: January 2023

Background:
NR2F1-AS1 is a long non-coding RNA (lnc RNA) that is involved
in different biological processes. It plays an integral role in the pathophysiology
of human diseases, especially tumorigenesis and progression. Therefore, it may be a
promising target for numerous tumor biotherapeutics. The current review study aimed to
show the pathophysiological activities and processes of RNA NR2F1-AS1 in cancer
cells.

Methods:
The contents of the present review were based on information obtained from
PubMed. In the data search, “NR2F1-AS1” was chosen as the first keyword, whereas
“cancer” was chosen as the second keyword. This review selected and summarized
studies published between 2019-2021, concerning the biological functions and mechanisms
of NR2F1-AS1 in the development of tumorigenesis.

Results:
It was found that NR2F1-AS1 regulates a variety of biological activities such as
proliferation, invasion, migration, and apoptosis. It acts as an oncogene because it is abnormally
expressed and promotes the progression of cancer in a variety of malignancies,
including esophageal squamous cell carcinoma, non-small cell lung cancer, breast cancer,
neuroblastoma, endometrial cancer, thyroid cancer, and gastric cancer. However, it
was evident that NR2F1-AS1 inhibits the progression of cancer in cervical squamous cell
carcinoma.

Conclusion:
NR2F1-AS1 is a potential new biomarker and therapeutic target for the treatment
of different cancers.
Exploring Potential Non-steroidal Aromatase Inhibitors for Therapeutic Application against Estrogen-dependent Breast Cancer
Authors: Pandey Khushboo , Bharat Lokhande Kiran , Saha Achintya , Goja Arvind , Swamy Kakumani Venkateswara , Nagar Shuchi 
Published: January 2023

Background:Breast cancer is one of the most commonly diagnosed cancer types among women worldwide. Cytochrome P450 aromatase (CYP19A1) is an enzyme in vertebrates that selectively catalyzes the biosynthesis of estrogens from androgenic precursors. Researchers have increasingly focused on developing non-steroidal aromatase inhibitors (NSAIs) for their potential clinical use, avoiding steroidal side effects.Objectives:The objective of the present work is to search for potential lead compounds from the ZINC database through various in silico approaches.Methods:In the present study, compounds from the ZINC database were initially screened through receptor independent-based pharmacophore virtual screening. These screened molecules were subjected to several assessments, such as Lipinski rule of 5, SMART filtration, ADME prediction using SwissADME and lead optimization. Molecular docking was further applied to study the interaction of the filtered compounds with the active site of aromatase. Finally, the obtained hit compounds, consequently represented to be ideal lead candidates, were escalated to the MD simulations.Results:The results indicated that the lead compounds might be potential anti-aromatase drug candidate.Conclusion:The findings provided a valuable approach in developing novel anti-aromatase inhibitors for the treatment of ER+ breast cancer.