Artificial Intelligence in Computer-Aided Drug Design (CADD) Tools for the Finding of Potent Biologically Active Small Molecules: Traditional to Modern Approach.

Computer-Aided Drug Design (CADD) entails designing molecules that could potentially interact with a specific biomolecular target and promising their potential binding. The stereo- arrangement and stereo-selectivity of small molecules (SMs)--based chemotherapeutic agents significantly influence their therapeutic potential and enhance their therapeutic advantages. CADD has been a well-established field for decades, but recent years have observed a significant shift toward acceptance of computational approaches in both academia and the pharmaceutical industry.

Cognitive health outcomes of fundamental motor skill applications in children through cooperative learning method.

Background: Previous research has suggests that cooperative learning methods and the development of fundamental motor skills support children's cognitive development, and further studies covering various aspects are recommended. In this study, as an alternative to traditional physical education classes including fundamental motor skill activities, we investigated the impact of cooperative learning methods incorporating these skills on children's visual-motor integration and selective attention.

Methods: A total of 60 boy children in the 10-11 age range were included in the study.

The spectrum of systemic sclerosis-associated pulmonary hypertension: Insights from the ASPIRE registry.

Background: There are limited data assessing the spectrum of systemic sclerosis-associated pulmonary hypertension (PH).

Methods: Data for 912 systemic sclerosis patients assessed between 2000 and 2020 were retrieved from the Assessing the Spectrum of Pulmonary hypertension Identified at a REferral centre (ASPIRE) registry and classified based on 2022 European Society of Cardiology/European Respiratory Society (ESC/ERS) guidelines and multimodality investigations.

Results: Reduction in pulmonary vascular resistance (PVR) diagnostic threshold to >2WU resulted in a 19% increase in precapillary PH diagnoses.

The Role of Exercise: Physical Fitness Changes Caused by Hypocaloric Diet and Exercise in Men Who Are Overweight.

Objective: There is evidence showing the effect of hypocaloric diet and increasing physical activity on weight loss. However, the effect of these factors on body composition and functional capacity remains unclear. Also, it is not clear which type of exercise (aerobic, resistance) has effective health benefits for men who are overweight.

Mild Dehydration Triggered by Exercise Reduces Cognitive Performance in Children, But Does Not Affect Their Motor Skills.

Objective: Children face the risk of dehydration in varying amounts during the day due to reasons such as physical activity, sweating, eating salty foods and drinking carbonated beverages. It is assumed that dehydration can lead to impaired motor skills and cognitive performance since it affects brain function. However, inconsistencies in study results, test times and problems caused by heat stress make new research mandatory.

PRIEST: predicting viral mutations with immune escape capability of SARS-CoV-2 using temporal evolutionary information.

The dynamic evolution of the severe acute respiratory syndrome coronavirus 2 virus is primarily driven by mutations in its genetic sequence, culminating in the emergence of variants with increased capability to evade host immune responses. Accurate prediction of such mutations is fundamental in mitigating pandemic spread and developing effective control measures. This study introduces a robust and interpretable deep-learning approach called PRIEST.

Quinoline Derivatives as Promising Scaffolds for Antitubercular Activity: A Comprehensive Review.

Background: Heterocyclic compounds and their derivatives play a significant role in the design and development of novel quinoline drugs. Among the various pharmacologically active heterocyclic compounds, quinolines stand out as the most significant rings due to their broad pharmacological roles, specifically antitubercular activity, and their presence in plant-based compounds. Quinoline is also known as benzpyridine, benzopyridine, and 1-azanaphthalene.

Growth, sex reversal pattern, and reproductive characteristics of Barramundi () broodstock candidates reared in floating cages.

Sex reversal of male to female is a characteristic of barramundi (), which is affected by several factors, thereby changing the broodstock population. A study was conducted in floating cages in Langkawi, Malaysia, to determine the weight point at the onset of the sex reversal phenomena. A total of 75 female and 55 male adult individuals (3-4 weeks of age) were sampled from the fish cultured in cages to ascertain their sex at different weights.

Development and Sensitivity Determination of Gene-specific Fast Loop-mediated Isothermal Amplification (LAMP) Assay for Rapid Detection of .

Objective: , one of the free-living amoeba, has been detected in many environmental samples, mainly in water, soil and air. keratitis and granulomatous amoebic encephalitis are among the most important clinical manifestations caused by . In this study, it was aimed to determine the sensitivity of the rapid loop mediated isothermal amplification (LAMP) test designed with primers specific to 18S rRNA gene to detect more rapidly the presence of in clinical and environmental samples.

Estimated plasma volume is not a robust indicator of the severity of congestion in patients with heart failure.

Background: Congestion is the main cause of morbidity and a prime determinant of survival in patients with heart failure (HF). However, the assessment of congestion is subjective and estimation of plasma volume (ePV) has been suggested as a more objective measure of congestion. This study aimed to explore the relationships and interactions between ePV, the severity of congestion and survival using a nationwide registry.

Effect of theraband exercises on muscle strength and motor development of individuals with moderate intellectual disability.

Individuals with Moderate Intellectual Disability (MID) have lower levels of physical activity than typically developing peers. Considering the positive effects of physical activity on health, it is vital to identify effective exercise interventions for individuals with MID in everyday environments. The aim of our study was to examine the effects of theraband exercises on muscle strength and motor development of individuals with MID.

Prognostic importance of nutritional assessment in patients with acute ischemic stroke undergoing endovascular thrombectomy.

Objective: The prevalence of malnutrition in patients with acute ischemic stroke (AIS) can range from 8% to 34%. It has been shown that prognostic nutritional index (PNI) and control nutritional status (CONUT) scores can provide an opportunity to make prognostic predictions in some disease groups. Previous studies have shown a close relationship between malnutrition scores and stroke prognosis.

A Phase II randomized controlled trial of oral prednisolone in early diffuse cutaneous systemic sclerosis (PRedSS).

Objectives: Although the painful and disabling features of early diffuse cutaneous SSc (dcSSc) have an inflammatory basis and could respond to corticosteroids, corticosteroids are a risk factor for scleroderma renal crisis. Whether or not they should be prescribed is therefore highly contentious. Our aim was to examine safety and efficacy of moderate-dose prednisolone in early dcSSc.

Gut microbiota-derived metabolite trimethylamine N-oxide and biomarkers of inflammation are linked to endothelial and coronary microvascular function in patients with inflammatory bowel disease.

Background: Inflammatory bowel disease (IBD), which is an umbrella term used for ulcerative colitis (UC) and Crohn's disease (CD), is associated with an increased risk for atherosclerotic cardiovascular disease (CVD). We aimed to investigate the association of local and systemic biomarkers of inflammation and gut microbiota-derived metabolite trimethylamine N-oxide (TMAO) with endothelial and coronary microvascular dysfunction in IBD.

Methods: A total of 56 patients with IBD (20 with UC and 36 with CD) and 34 age and gender matched controls were included.

Exploring the effects of a combined exercise programme on pain and fatigue outcomes in people with systemic sclerosis: study protocol for a large European multi-centre randomised controlled trial.

Background: Pain, related to Raynaud's phenomenon or digital ulceration, has been identified as very prevalent and debilitating symptoms of systemic sclerosis (SSc), both significantly affecting patients' quality of life (QoL). Pharmacological therapeutic strategies were found not to be sufficiently effective in the management of SSc-induced pain and fatigue, and evidence for exercise is scarce. As yet, the effects of a long-term, tailored exercise programme on pain and fatigue in patients with SSc have not been explored.

The BILAG2004-Pregnancy Index is a valid disease activity outcome measure for pregnant SLE patients.

Objectives: This study was to determine whether the BILAG2004-Pregnancy Index (BILAG2004-P) has construct/criterion validity and is sensitive to change.

Methods: This was an observational multicentre study that recruited pregnant SLE patients. Data were collected on disease activity [using the BILAG2004-P and Physician Global Assessment (PGA)], investigations and therapy at each assessment.

Novel predictor of pulmonary arterial hypertension: Monocyte to HDL cholesterol ratio.

Monocyte to HDL cholesterol ratio (MHR), lymphocyte to monocyte ratio (LMR), and neutrophil to lymphocyte ratio (NLR) have been proposed as novel systemic inflammatory markers. The aim of this study was to explore the association between MHR, LMR and NLR with pulmonary arterial hypertension (PAH). The study is a single-center, retrospective Cross-sectional study.

Predictive value of lymphocyte to monocyte ratio for cardiac syndrome X.

Objective: Cardiac syndrome X (CSX) is typically described with ischemia in stress tests in addition to angina-like chest pain and without stenosis in coronary angiography. We aimed at determining the relationship between LMR and CSX.

Patients And Methods: We retrospectively collected patients with CSX between January 2016 and December 2019.

Outcomes of children born to mothers with systemic lupus erythematosus exposed to hydroxychloroquine or azathioprine.

Objectives: HCQ and AZA are used to control disease activity and reduce risk of flare during pregnancy in patients with SLE. The aim of this study was to determine the outcomes of children born to mothers with SLE exposed to HCQ or AZA during pregnancy and breast-feeding.

Methods: Women attending UK specialist lupus clinics with children ≤17 years old, born after SLE diagnosis, were recruited to this retrospective study.

The BILAG-2004 index is associated with development of new damage in SLE.

Objective: To determine whether BILAG-2004 index is associated with the development of damage in a cohort of SLE patients. Mortality and development of damage were examined.

Methods: This was a multicentre longitudinal study.

Added value of Joint ENT-Rheumatology clinic in the management of ANCA-associated vasculitis: One year's experience.

Purpose: ANCA-associated vasculitides (AAV) represent a group of diagnoses, including granulomatosis with polyangiitis (GPA), eosinophilic granulomatosis with polyangiitis (EGPA) and microscopic polyangiitis (MPA). Most commonly, they present initially with ENT-associated symptomatology, and therefore they often pose a diagnostic challenge. We aim to present our one-year experience in the joint management of AAV in a multi-disciplinary setting.

Clinical profile and characteristics of eosinophilic esophagitis patients presenting with refractory gastroesophageal reflux disease in Makassar, Indonesia.

Refractory Gastroesophageal Reflux Disease (GERD) is a typical GERD that does not respond to Proton Pump Inhibitor (PPI) treatment for 8-12 weeks. One of the differential diagnoses for refractory GERD is eosinophilic esophagitis which is characterized by eosinophilic infiltration into the esophagus endothelium. However, to date, eosinophilic esophagitis is still poorly understood and data is still limited.

Automated method for real-time AMD screening of fundus images dedicated for mobile devices.

Aged macular degeneration (AMD) leads to a progressive decline in visual acuity until reaching blindness. It is considered as an irreversible pathology where an early diagnosis remains crucial. However, the lack of ophthalmologists, the permanent increase in elderly people, and their limited mobility involves a delay in AMD diagnosis.