bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advances in Drug Discovery based on Genomics, Proteomics and Bioinformatics
in Malaria
Authors: Srivastava Sanjeeva , Aggarwal Shalini , Karmakar Amit , Krishnakumar Sanjana , Paul Utpalendu , Singh Anjali , Banerjee Nirjhar , Laha Nehashri , Roy Ball Graham 
Published: April 2023

Abstract:
Malaria is one of the neglected infectious diseases, and drugs are the first line of action
taken against the onset of malaria as therapeutics. The drugs can be of either natural or artificial
origin. Drug development has multiple impediments grouped under three categories, a. drug discovery
and screening, b. the drug's action on the host and the pathogen, and c. clinical trials. Drug development
takes coon’s age from discovery to the market after FDA approval. At the same time,
targeted organisms develop drug resistance quicker than drug approval, raising the requirement for
advancement in drug development. The approach to explore drug candidates using the classical
methods from natural sources, computation-based docking, mathematical and machine learningbased
high throughput in silico models or drug repurposing has been investigated and developed.
Also, drug development with information about the interaction between Plasmodium species and its
host, humans, may facilitate obtaining an efficient drug cohort for further drug discovery or repurposing
expedition. However, drugs may have side effects on the host system. Hence, machine learning
and systems-based approaches may provide a holistic view of genomic, proteomic, and transcriptomic
data and their interaction with the selected drug candidates. This review comprehensively
describes the drug discovery workflows using drug and target screening methodologies, followed
by possible ways to check the binding affinity of the drug and targets using various docking software.
Discovery of Multi-functional Lead Compounds Originating from Traditional Chinese Medicine for Developing Anti-depressive Agents via Virtual Screening
Authors: Jiajia Mo , Qinlong Xu , Jiaming Li , Zhaoxing Chu , Xiaodong Ma , Qihua Zhu , Guangwei He 
Published: April 2023

Background:
The increasing prevalence of depression has become a global health issue. Currently
approved anti-depressive including 5-hydroxytryptamine (5-HT), dopamine (DA), norepinephrine
(NE), triple reuptake inhibitors (TRIs) and glutamate N-methyl-D-aspartate (NMDA) receptor antagonists
have limited effects because of their insufficient efficacy and/or slow onset of action. Developing multifunctional
antidepressants that can modulate 5-HT, DA, NE, and NMDA simultaneously can potentially
overcome the current drug defects.

Objective:
This study aimed to explore leads for the development of multi-functional anti-depressive
agents that simultaneous triple reuptake inhibitory and NMDA-GluN2B receptor antagonistic activities.

Methods:
Potential leads were screened virtually from the TCMSP database based on the 3DPharmacophore
model of TRIs followed by the molecular docking into NMDA-GluN2B receptor, BBB
score, and the in silico toxicity evaluation. The biological activities of discovered leads on 5-HT, NE, and
DA reuptake and their effect on the NMDA-GluN2B receptor were evaluated via radio-labeled neurotransmitters
and competition radio-ligand binding experiment with [3H] ifenprodil, respectively. Lastly,
the antidepressant effect of these potential leads was determined in vivo through the forced swim test in
mice.

Results:
Two compounds were attained as potential leads after the aforementioned experiments. Further
in vitro biological evaluation identified Hit-2 as a promising lead that exerted favorable triple 5-
HT/DA/NE reuptake inhibitory activity (66.98% inhibition rate at 10 μM against hNET, 73.01% inhibition
rate at 1 μM against hDAT and 86.27% inhibition rate at 1 μM against hSERT), as well as potent
NMDA-GluN2B receptor antagonistic activity (Ki=115.73 ± 3.54 nM). The antidepressant activity of Hit-
2 was confirmed through in vivo experiments

Conclusion:
Hit-2 not only simultaneously inhibited the reuptake of 5-HT, DA, and NE, and acted as an
NMDA-GluN2B receptor antagonist in vitro but also showed in vivo antidepressant activity. These findings
may serve as a structural basis for the further development of multi-functional anti-depressive agents.
Molecular Aspects of Carrageenan in the Pharmaceutical and Food
Industries
Authors: Pereira Julianne Soares , Faria Robson Xavier 
Published: April 2023

Abstract:
Carrageenan is a gel-forming polysaccharide obtained by extracting certain species of
red algae. This substance is used in several food groups due to carrageenan's ability to replace fat
and combine easily with milk proteins to increase solubility and improve texture. Although the
FDA (Food and Drug Administration) considers carrageenan safe for consumption, this point is still
subject to intense scrutiny to investigate the potential health risks associated with human consumption.
In view of this, the objective of this review was to address the consumption of carrageenan in
the food and pharmaceutical industries and its possible toxic effects on health. One hundred and
eleven articles were related to the objective of this review. Although carrageenan is widely used for
consumption and several studies describe its beneficial effects, a large number of articles have already
been bringing possible toxic effects that it can generate in the long term.
Novel 1-H Phenyl Benzimidazole Derivatives for IBD Therapy - An in-vitro
and in-silico Approach to Evaluate its Effects on the IL-23 Mediated Inflammatory
Pathway
Authors: Vishnu V. , Krishnendu P. R. , Zachariah Subin Mary , S. K. Kanthlal 
Published: April 2023

Objective:
IBD is a chronic idiopathic gut condition characterised by recurring and remitting
inflammation of the colonic mucosal epithelium. Benzimidazole is a prominent and attractive
heterocyclic compound with diverse actions. Although seven locations in the benzimidazole
nucleus can be changed with a number of chemical entities for biological activity, benzimidazole
fused with a phenyl ring has caught our interest.

Methods:
To find and optimize novel 1-H phenyl benzimidazole compounds with favorable physicochemical
features and drug-like characteristics for the treatment of IBD, in-silico studies and
in-vitro approach were being used to identify and optimize these derivatives as potent inhibitors of
IL-23 mediated inflammatory signaling pathway.

Results:
All six compounds exhibit favorable drug-like properties with good intestinal absorption
properties. Its high affinity for the target JAK and TYK, which is thought to be a key immunological
signaling cascade in the pathophysiology of IBD, is revealed by docking studies.

Conclusion:
Because of their effects on decreasing iNOS-derived NO release and IL-23-mediated
immune signaling by decreasing COX-2 and LOX activity, it's conceivable that the compounds
CS3 and CS6 are better options for the treatment of IBD based on in-vitro cell line investigations.
A Selective Electrochemical Sensing of Serotonin and Epinephrine at
Glassy Carbon Electrode Modulated with Brilliant Green: A Voltammetric
Study
Authors: Banu Rukaya , Swamy B.E. Kumara , Pandith Anup 
Published: April 2023

Abstract:
In the present investigation, an electrochemical sensing approach based on the electropolymerization
modulation of brilliant green on a glassy carbon electrode has been introduced for rapid and sensitive
identification of serotonin (SE) and epinephrine (EP) by cyclic and differential pulse voltammetric
procedures. Under adequate circumstances, the analytical variable like the pH of the supporting solution,
was maintained between the range of 6.2-8.0. Furthermore, the electro-kinetic parameter was surveyed,
and the electrode depicted the proportionality between the current intensities with the concentration of
analytes with a low detection limit (0.74×10-6 M for SE and 0.58×10-6 M for EP). The modulated sensor
portrayed the supreme electrocatalytic characteristics toward the simultaneous quantification of SE and
EP in a sample mixture.
Articular Cartilage Injury; Current Status and Future Direction
Authors: Moradi Maryam , Parvizpour Farzad , Arabpour Zohreh , Zargarzadeh Nikan , Nazari Mahnaz , Rashnavadi Heewa , Sefat Farshid , Dehghani Sanaz , Latifi Marzieh , Jafarian Arefeh 
Published: April 2023

Abstract:
Today, treatments of cartilage and osteochondral lesions are routine clinical procedures. The
avascular and hard-to-self-repair nature of cartilage tissue has posed a clinical challenge for the replacement
and reconstruction of damaged cartilage. Treatment of large articular cartilage defects is technically
difficult and complex, often accompanied by failure. Articular cartilage cannot repair itself after injury
due to a lack of blood vessels, lymph, and nerves. Various treatments for cartilage regeneration have
shown encouraging results, but unfortunately, none have been the perfect solution. New minimally invasive
and effective techniques are being developed. The development of tissue engineering technology has
created hope for articular cartilage reconstruction. This technology mainly supplies stem cells with various
sources of pluripotent and mesenchymal stem cells. This article describes the treatments in detail,
including types, grades of cartilage lesions, and immune mechanisms in cartilage injuries.
A Review of Current Research on Traditional Medicines for the Treatment of Gastrointestinal and Biliary Disorders
Authors: Vishwakarma Monika , Patel Akash , Jain Dharmendra 
Published: April 2023

Abstract:Gastrointestinal (GI) and biliary disorders are the most commonly known health issues for people in the present time as a consequence of modern lifestyle, eating habits, stress, and many other conditions. The usage of traditional substances has been phased out over time, resulting in an increase in the occurrence of numerous diseases and a decrease in immunity. Therefore, in the current scenario, traditional medicine is increasingly being used to treat and manage diseases worldwide. Traditional medical systems of India, China, and Africa are the most frequently used today. Indian medicinal system includes the Ayurveda, Siddha, and Unani systems of medicine. Ayurveda is the most antique system of medicine, which relies on the usage of plant-based formulations. Herbal medicines are used nowadays by up to half of the world's population. Phytomedicines isolated from plants contain a wide variety of bioactive components that can have both negative and positive effects. Many herbal plants, such as Acacia, Aloe, Carum, Rose, Funnel, etc., are proven to be effective as phytomedicines that are effective for the cure of gastrointestinal and biliary problems. The available pharmacological therapeutic drugs often have efficacy but are associated with many adverse effects. To minimize the adverse effects, the use of phytomedicines can be the best possible alternative. In this study, a review of some of the most frequently used traditional herbal medicine isolates with their proven pharmacological activity and novel drug delivery systems for the proper delivery of isolates is presented. Moreover, currently available herbal-marketed formulations are also highlighted.
Performance and Safety of a New Medical Device (Polybactum) for Reducing the Recurrence Rate of Bacterial Vaginosis: Protocol for a Multicenter, Open-Label, Noncontrolled International Clinical Trial (POLARIS Study)
Authors: Murina Filippo , Inghirami Paolo , Biriș Marius , Sîrbu Daniela , Barattini Dionisio Franco , Sbrocca Federica , Ardolino Luca Ivan , Mangrella Mario , Casolati Elena , Roșu Serban , Crișan Ciprian Doru 
Published: April 2023

Background
The medical literature has reported that recurrent bacterial vaginosis (RBV) has a relapse rate of 35% within 3 months and 60% within 12 months after antibiotic administration. Products that are able to provide a barrier effect against the biofilm produced by Gardnerella vaginalis could play a role in improving the results of bacterial vaginosis (BV) treatment.

Objective
This study aims to assess the performance and safety of a medical device (Polybactum) containing polycarbophil, lauryl glucoside, and glycerides (PLGG) for reducing the rate of recurrence of BV.

Methods
The study includes women who are aged above 18 years, are willing to provide signed informed consent, have a diagnosis of BV according to the Amsel criteria, and have been affected by at least 2 episodes of RBV in the last 12 months. The trial includes 2 phases. In the first phase (according to an open-label noncontrolled design), the treatment involving PLGG is administered for 3 cycles and is followed by a 1-month period of follow-up without treatment. In the second phase, a 9-month follow-up period is envisaged. Thus, for each patient, a 10-month follow-up period without treatment is planned. The study involves 5 centers (2 in Italy and 3 in Romania). We calculated a sample size of 44 pairs to achieve a power of 80% and a 1-sided significance of 5% for detecting a difference of 0.25 between marginal proportions, in comparison with the mean recurrence rate of BV reported in the medical literature. We estimated a potential dropout rate of 20%, and thus, we decided to enroll 55 patients (1-group chi-square test).

Results
The study received ethics approval in 2016 in Romania and 1 year later in Italy. Recruitment started in September 2016. An interim analysis was performed in 2019, and full study analysis results are expected in July 2023.

Conclusions
The tested medical device involving PLGG could modify the mechanisms involved in the pathogenesis of BV and could improve microbiological parameters owing to the acidifying effect on vaginal pH. We believe that the findings of our study could be useful for other investigators who want to test different products against RBV using a standardized protocol and standardized procedures.

Trial Registration
ClinicalTrials.gov NCT02863536; https://clinicaltrials.gov/ct2/show/NCT02863536

International Registered Report Identifier (IRRID)
RR1-10.2196/42787
Factors Associated With Limited Digital Health Literacy Among Chinese Male Populations: Cross-sectional Study
Authors: Xing Zhaoquan , Ji Meng , Dong Zhaogang , Xu Xiaofei , Shan Yi 
Published: April 2023

Background
eHealth resources and interventions promise to promote favorable behavior change, self-efficacy, and knowledge acquisition, thereby improving health literacy. However, individuals with limited eHealth literacy may find it difficult to identify, understand, and benefit from eHealth use. It is necessary to identify the self-assessed eHealth literacy of those who use eHealth resources to classify their eHealth literacy levels and to determine the demographic characteristics associated with higher and lower eHealth literacy skills.

Objective
This study aimed to identify notable factors closely associated with limited eHealth literacy among Chinese male populations to provide some implications for clinical practice, health education, medical research, and public health policy making.

Methods
We hypothesized that participants’ eHealth literacy status was associated with various demographic characteristics. Therefore, we elicited the following information in the questionnaire: age and education, self-assessed disease knowledge, 3 well-developed health literacy assessment tools (ie, the All Aspects of Health Literacy Scale, eHealth Literacy Scale, and General Health Numeracy Test), and the 6 Internal items on health beliefs and self-confidence in the Multidimensional Health Locus of Control Scales. Using randomized sampling, we recruited survey participants from Qilu Hospital of Shandong University, China. After validating the data collected through a web-based questionnaire survey via wenjuanxing, we coded all valid data according to predefined coding schemes of Likert scales with different point (score) ranges. We then calculated the total scores of the subsections of the scales or the entire scale. Finally, we used logistic regression modeling to associate the scores of the eHealth Literacy Scale with the scores of the All Aspects of Health Literacy Scale, the General Health Numeracy Test-6, and age and education to ascertain factors considerably associated with limited eHealth literacy among Chinese male populations.

Results
All data from the 543 returned questionnaires were valid according to the validation criteria. By interpreting these descriptive statistics, we found that 4 factors were significantly correlated with participants’ limited eHealth literacy: older age, lower education attainment, lower levels of all aspects of health literacy (functional, communicative, and critical), and weaker beliefs and self-confidence in internal drivers and strengths to stay healthy.

Conclusions
By applying logistic regression modeling, we ascertained 4 factors that were significantly correlated with limited eHealth literacy among Chinese male populations. These relevant factors identified can inform stakeholders engaging in clinical practice, health education, medical research, and health policy making.
A Digital Telehealth System to Compute Myasthenia Gravis Core Examination Metrics: Exploratory Cohort Study
Authors: Garbey Marc , Joerger Guillaume , Lesport Quentin , Girma Helen , McNett Sienna , Abu-Rub Mohammad , Kaminski Henry 
Published: April 2023

Background
Telemedicine practice for neurological diseases has grown significantly during the COVID-19 pandemic. Telemedicine offers an opportunity to assess digitalization of examinations and enhances access to modern computer vision and artificial intelligence processing to annotate and quantify examinations in a consistent and reproducible manner. The Myasthenia Gravis Core Examination (MG-CE) has been recommended for the telemedicine evaluation of patients with myasthenia gravis.

Objective
We aimed to assess the ability to take accurate and robust measurements during the examination, which would allow improvement in workflow efficiency by making the data acquisition and analytics fully automatic and thereby limit the potential for observation bias.

Methods
We used Zoom (Zoom Video Communications) videos of patients with myasthenia gravis undergoing the MG-CE. The core examination tests required 2 broad categories of processing. First, computer vision algorithms were used to analyze videos with a focus on eye or body motions. Second, for the assessment of examinations involving vocalization, a different category of signal processing methods was required. In this way, we provide an algorithm toolbox to assist clinicians with the MG-CE. We used a data set of 6 patients recorded during 2 sessions.

Results
Digitalization and control of quality of the core examination are advantageous and let the medical examiner concentrate on the patient instead of managing the logistics of the test. This approach showed the possibility of standardized data acquisition during telehealth sessions and provided real-time feedback on the quality of the metrics the medical doctor is assessing. Overall, our new telehealth platform showed submillimeter accuracy for ptosis and eye motion. In addition, the method showed good results in monitoring muscle weakness, demonstrating that continuous analysis is likely superior to pre-exercise and postexercise subjective assessment.

Conclusions
We demonstrated the ability to objectively quantitate the MG-CE. Our results indicate that the MG-CE should be revisited to consider some of the new metrics that our algorithm identified. We provide a proof of concept involving the MG-CE, but the method and tools developed can be applied to many neurological disorders and have great potential to improve clinical care.
Developing and Evaluating an AI-Based Computer-Aided Diagnosis System for Retinal Disease: Diagnostic Study for Central Serous Chorioretinopathy (Preprint)
Authors: Yoon Jeewoo , Han Jinyoung , Ko Junseo , Choi Seong , Park Ji In , Hwang Joon Seo , Han Jeong Mo , Hwang Daniel Duck-Jin 
Published: April 2023

BACKGROUND

Although previous research has made substantial progress in developing high-performance artificial intelligence (AI)–based computer-aided diagnosis (AI-CAD) systems in various medical domains, little attention has been paid to developing and evaluating AI-CAD system in ophthalmology, particularly for diagnosing retinal diseases using optical coherence tomography (OCT) images.

OBJECTIVE

This diagnostic study aimed to determine the usefulness of a proposed AI-CAD system in assisting ophthalmologists with the diagnosis of central serous chorioretinopathy (CSC), which is known to be difficult to diagnose, using OCT images.

METHODS

For the training and evaluation of the proposed deep learning model, 1693 OCT images were collected and annotated. The data set included 929 and 764 cases of acute and chronic CSC, respectively. In total, 66 ophthalmologists (2 groups: 36 retina and 30 nonretina specialists) participated in the observer performance test. To evaluate the deep learning algorithm used in the proposed AI-CAD system, the training, validation, and test sets were split in an 8:1:1 ratio. Further, 100 randomly sampled OCT images from the test set were used for the observer performance test, and the participants were instructed to select a CSC subtype for each of these images. Each image was provided under different conditions: (1) without AI assistance, (2) with AI assistance with a probability score, and (3) with AI assistance with a probability score and visual evidence heatmap. The sensitivity, specificity, and area under the receiver operating characteristic curve were used to measure the diagnostic performance of the model and ophthalmologists.

RESULTS

The proposed system achieved a high detection performance (99% of the area under the curve) for CSC, outperforming the 66 ophthalmologists who participated in the observer performance test. In both groups, ophthalmologists with the support of AI assistance with a probability score and visual evidence heatmap achieved the highest mean diagnostic performance compared with that of those subjected to other conditions (without AI assistance or with AI assistance with a probability score). Nonretina specialists achieved expert-level diagnostic performance with the support of the proposed AI-CAD system.

CONCLUSIONS

Our proposed AI-CAD system improved the diagnosis of CSC by ophthalmologists, which may support decision-making regarding retinal disease detection and alleviate the workload of ophthalmologists.
Prediction of peak, horizontal ground motion parameters in mexico city from coastal earthquakes
Authors: Singh S. K. , Mena E. , Castro R. 
Published: April 2023

La necesidad de predecir el movimiento del terreno en la ciudad de México producido por temblores en la costa se ha hecho cada vez mas importante. Sin embargo, las peculiares condiciones del sitio en que se encuentra la ciudad y la escasez de datos de movimientos fuertes en el pasado, han dado lugar a dudosas relaciones de atenuación. Actualmente se cuenta con acelerogramas de 16 temblores de la costa (5.6 ≤Ms≤8.1, 282≤R≤466km) registrados. en la estación UNAM (CUIP) en la zona de lomas, incluyendo los sismos de Michoacán del 19 de septiembre de 1985 (Ms= 8.1), dos de sus replicas principales, y otros 8 eventos que no habían sido analizados previamente.De las 16 aceleraciones maximas (amax) y 14 velocidades maximas (vmax). se proponen las siguientes relaciones de atenuación para CUIP:log amax= 0.429 Ms 2.979 log R+ 5.396 (σ= 0.15)log Vmax= 0.348 Ms 2.439 log R+ 4.052 (σ = 0.16)Donde amax esta dado en gals, vmax en cm/seg y R es la distancia mínima al área de ruptura, en km.Los rangos de magnitud y distancia cubren adecuadamente los futuros temblores críticos a lo largo de la zona mexicana de subducción. Los parámetros del movimiento del terreno en varios otros sitios de la ciudad (la mayoría en la zona del lago) pueden ser estimados a partir de los factores de amplificación dados en este artículo. En promedio, la amplificación relativa de amax Y vmax en los sitios de la zona del lago con respecto a CUIP son 3.0 y 4.3, respectivamente.doi: sin doi