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https://read.qxmd.com/read/38528576/prospective-virtual-screening-combined-with-bio-molecular-simulation-enabled-identification-of-new-inhibitors-for-the-kras-drug-target
#1
JOURNAL ARTICLE
Amar Ajmal, Hind A Alkhatabi, Roaa M Alreemi, Mubarak A Alamri, Asaad Khalid, Ashraf N Abdalla, Bader S Alotaibi, Abdul Wadood
Lung cancer is a disease with a high mortality rate and it is the number one cause of cancer death globally. Approximately 12-14% of non-small cell lung cancers are caused by mutations in KRASG12C . The KRASG12C is one of the most prevalent mutants in lung cancer patients. KRAS was first considered undruggable. The sotorasib and adagrasib are the recently approved drugs that selectively target KRASG12C , and offer new treatment approaches to enhance patient outcomes however drug resistance frequently arises...
March 25, 2024: BMC chemistry
https://read.qxmd.com/read/38515142/expression-and-splicing-based-multi-tissue-transcriptome-wide-association-studies-identified-multiple-genes-for-breast-cancer-by-estrogen-receptor-status
#2
JOURNAL ARTICLE
Julian C McClellan, James L Li, Guimin Gao, Dezheng Huo
BACKGROUND: Although several transcriptome-wide association studies (TWASs) have been performed to identify genes associated with overall breast cancer (BC) risk, only a few TWAS have explored the differences in estrogen receptor-positive (ER+) and estrogen receptor-negative (ER-) breast cancer. Additionally, these studies were based on gene expression prediction models trained primarily in breast tissue, and they did not account for alternative splicing of genes. METHODS: In this study, we utilized two approaches to perform multi-tissue TWASs of breast cancer by ER subtype: (1) an expression-based TWAS that combined TWAS signals for each gene across multiple tissues and (2) a splicing-based TWAS that combined TWAS signals of all excised introns for each gene across tissues...
March 21, 2024: Breast Cancer Research: BCR
https://read.qxmd.com/read/38511193/animal-welfare-at-german-abattoirs-insights-into-the-occurrence-of-violations-against-laws-and-regulations-from-official-veterinarians-and-judicial-decisions
#3
JOURNAL ARTICLE
Stephanie Janet Schneidewind, Susann Langforth, Diana Meemken
INTRODUCTION: This study investigated the occurrence of various animal welfare violations at German abattoirs by analyzing the results of an anonymous online survey and relevant German court decisions. METHODS: The survey targeted official veterinarians (OVs) and other individuals responsible for enforcing animal welfare laws and regulations at German abattoirs. Participants were asked to report the five most common animal welfare violations in their workplaces during the past 3 years (2019-2021), and whether 22 specific given violations had occurred or not (in the same timeframe)...
2024: Frontiers in Veterinary Science
https://read.qxmd.com/read/38510727/application-of-motor-learning-theory-to-teach-the-head-impulse-test-to-emergency-medicine-resident-physicians
#4
JOURNAL ARTICLE
Jacob C Lenning, Anne M Messman, Jeffrey A Kline
OBJECTIVES: The objective was to develop an innovative method of training emergency medicine (EM) resident physicians to perform the head impulse test (HIT) component of the HINTS (head impulse test, nystagmus, test of skew) examination using video-oculography (VOG) device feedback. METHODS: Using principles from motor learning theory and Ericsson's framework for expertise, we developed a training innovation utilizing VOG device feedback to teach the degree (10°-20°) and velocity (>100°/s) of head turn required for the HIT...
February 2024: AEM Education and Training
https://read.qxmd.com/read/38507171/identification-of-novel-pi3k%C3%AE-inhibitor-against-gastric-cancer-qsar-molecular-docking-and-molecular-dynamics-simulation-based-analysis
#5
JOURNAL ARTICLE
Fang Yuan, Ting Li, Xinjie Xu, Ting Chen, Zhiqun Cao
Gastric cancer (GC) is a malignant tumor with global incidence and death ranking fifth and fourth, respectively. GC patients nevertheless have a poor prognosis despite the effectiveness of more advanced chemotherapy and surgical treatment options. The second most frequently mutated gene in GC is PI3Kalpha, a confirmed oncogene that results in abnormal PI3K/AKT/mTOR signaling, causing enhanced translation, proliferation, and survival, and is mutated in 7-25% of GC patients. The protein PI3Kalpha was targeted in the present study by utilizing machine learning (ML), molecular docking, and simulation...
March 20, 2024: Applied Biochemistry and Biotechnology
https://read.qxmd.com/read/38486100/preserving-fairness-and-diagnostic-accuracy-in-private-large-scale-ai-models-for-medical-imaging
#6
JOURNAL ARTICLE
Soroosh Tayebi Arasteh, Alexander Ziller, Christiane Kuhl, Marcus Makowski, Sven Nebelung, Rickmer Braren, Daniel Rueckert, Daniel Truhn, Georgios Kaissis
BACKGROUND: Artificial intelligence (AI) models are increasingly used in the medical domain. However, as medical data is highly sensitive, special precautions to ensure its protection are required. The gold standard for privacy preservation is the introduction of differential privacy (DP) to model training. Prior work indicates that DP has negative implications on model accuracy and fairness, which are unacceptable in medicine and represent a main barrier to the widespread use of privacy-preserving techniques...
March 14, 2024: Commun Med (Lond)
https://read.qxmd.com/read/38485352/children-s-risk-assessment-in-street-crossing-using-virtual-reality
#7
JOURNAL ARTICLE
Ole Johan Sando, Rasmus Kleppe, Ellen Beate Hansen Sandseter
INTRODUCTION: Crossing streets represents a risky task for children where they have to assess both the probability and harm severity of being hit by a vehicle. To cross streets safely, children must perceive and interpret the traffic environment and scale their movements to the flow of traffic. Their ability to gather information about the surrounding environment through visual search strategies is essential in this process. This study aimed to explore children's street crossing behaviors and to identify successful risk-assessment strategies...
February 2024: Journal of Safety Research
https://read.qxmd.com/read/38480771/social-and-economic-variables-explain-covid-19-diffusion-in-european-regions
#8
JOURNAL ARTICLE
Christian Cancedda, Alessio Cappellato, Luigi Maninchedda, Leonardo Meacci, Sofia Peracchi, Claudia Salerni, Elena Baralis, Flavio Giobergia, Stefano Ceri
At the beginning of 2020, Italy was the country with the highest number of COVID-19 cases, not only in Europe, but also in the rest of the world, and Lombardy was the most heavily hit region of Italy. The objective of this research is to understand which variables have determined the prevalence of cases in Lombardy and in other highly-affected European regions. We consider the first and second waves of the COVID-19 pandemic, using a set of 22 variables related to economy, population, healthcare and education...
March 13, 2024: Scientific Reports
https://read.qxmd.com/read/38450282/virtual-reality-perceptual-training-can-improve-the-temporal-discrimination-ability-of-swinging-during-softball-batting
#9
JOURNAL ARTICLE
Daiki Nasu, Takamichi Baba, Takumi Imamura, Masumi Yamaguchi, Yoshitake Kitanishi, Makio Kashino
Perception and action uncoupling in fastball sports anticipatory training is often criticized. Nevertheless, perception-only training offers distinct advantages, such as flexibility concerning time, place, and injury limitations. Therefore, the effectiveness of this training approach warrants evaluation. This study developed a virtual reality (VR) training system based on the idea that the two visual pathways in the brain are associated with visual information attributes, rather than perception or action. A key feature of this study's perception-only training was its presentation of not only the opponent's kinematics but also the ball's flight information (the attributes that guide hitting) to train the visual system necessary for real situations...
2024: Frontiers in sports and active living
https://read.qxmd.com/read/38435603/a-knowledge-graph-embedding-model-based-attention-mechanism-for-enhanced-node-information-integration
#10
JOURNAL ARTICLE
Ying Liu, Peng Wang, Di Yang, Ningjia Qiu
The purpose of knowledge embedding is to extract entities and relations from the knowledge graph into low-dimensional dense vectors, in order to be applied to downstream tasks, such as connection prediction and intelligent classification. Existing knowledge embedding methods still have many limitations, such as the contradiction between the vast amount of data and limited computing power, and the challenge of effectively representing rare entities. This article proposed a knowledge embedding learning model, which incorporates a graph attention mechanism to integrate key node information...
2024: PeerJ. Computer Science
https://read.qxmd.com/read/38431683/the-effect-of-quiet-eye-training-on-golf-putting-performance-in-pressure-situation
#11
JOURNAL ARTICLE
Qiao He, Yunzhou Liu, Yongtao Yang
To explores the effect and mechanism of quiet eye training on the accuracy of golfers´ putts in pressure situations and provides methods and basis for targeted attention training and control. 22 young golfers in China golf team aged from 13 to 18 were randomly assigned to the experimental group (quiet eye training group) and the control group (technical guidance group) according to gender. Both groups of participants underwent two consecutive weeks of push training (3 sets per day, 20 golf putts per set, rest for 3 min between sets) separately in accordance with the guidance of a professional psychological research group and an expert coach...
March 2, 2024: Scientific Reports
https://read.qxmd.com/read/38422823/uncovering-ppar-%C3%AE-agonists-an-integrated-computational-approach-driven-by-machine-learning
#12
JOURNAL ARTICLE
Sajjad Haider, Muhammad Shafiq, Ali Raza Siddiqui, Madiha Sardar, Mamona Mushtaq, Sehrish Shafeeq, Mohammad Nur-E-Alam, Aftab Ahmad, Zaheer Ul-Haq
Peroxisome proliferator-activated receptor gamma (PPAR-γ) serves as a nuclear receptor with a pivotal function in governing diverse facets of metabolic processes. In diabetes, the prime physiological role of PPAR-γ is to enhance insulin sensitivity and regulate glucose metabolism. Although PPAR-γ agonists such as Thiazolidinediones are effective in addressing diabetes complications, it is vital to be mindful that they are associated with substantial side effects that could potentially give rise to health challenges...
February 24, 2024: Journal of Molecular Graphics & Modelling
https://read.qxmd.com/read/38403464/3d-qsar-pharmacophore-modeling-virtual-screening-molecular-docking-md-simulations-in-vitro-and-in-vivo-studies-to-identify-potential-anti-hyperplasia-drugs
#13
JOURNAL ARTICLE
Muhammad Zafar Irshad Khan, Dildar Khan, Muhammad Yasir Akbar, Hao Wang, Ihsan-Ul Haq, Jian-Zhong Chen
Psoriasis is a common immune-mediated skin condition characterized by aberrant keratinocytes and cell proliferation. The purpose of this study was to explore the FDA-approved drugs by 3D-QSAR pharmacophore model and evaluate their efficiency by in-silico, in vitro, and in vivo psoriasis animal model. A 3D-QSAR pharmacophore model was developed by utilizing HypoGen algorithm using the structural features of 48 diaryl derivatives with diverse molecular patterns. The model was validated by a test set of 27 compounds, by cost analysis method, and Fischer's randomization test...
February 2024: Biotechnology Journal
https://read.qxmd.com/read/38403025/deep-match-a-zero-shot-framework-for-improved-fiducial-free-respiratory-motion-tracking
#14
JOURNAL ARTICLE
Di Xu, Martina Descovich, Hengjie Liu, Yi Lao, Alexander R Gottschalk, Ke Sheng
BACKGROUND AND PURPOSE: Motion management is essential to reduce normal tissue exposure and maintain adequate tumor dose in lung stereotactic body radiation therapy (SBRT). Lung SBRT using an articulated robotic arm allows dynamic tracking during radiation dose delivery. Two stereoscopic X-ray tracking modes are available - fiducial-based and fiducial-free tracking. Although X-ray detection of implanted fiducials is robust, the implantation procedure is invasive and inapplicable to some patients and tumor locations...
February 23, 2024: Radiotherapy and Oncology
https://read.qxmd.com/read/38380372/characterizing-patient-details-related-challenges-from-health-information-technology-related-incident-reports-from-swedish-healthcare
#15
JOURNAL ARTICLE
Md Shafiqur Rahman Jabin, Ding Pan, Evalill Nilsson
INTRODUCTION: Despite many benefits offered by Health Information Technology (HIT) systems, new technology brings new and unforeseen risks to healthcare quality and patient safety if they're not properly planned, designed, implemented, and managed. This study examined health information technology-related (HIT) incidents to identify patient details-related issues, their association with contributing factors, and outcomes. METHODS: Sources of information comprised retrospectively collected incident reports ( n  = 95) using two sampling methods, i...
2024: Frontiers in digital health
https://read.qxmd.com/read/38379294/machine-learning-and-molecular-simulation-based-protocols-to-identify-novel-potential-inhibitors-for-reverse-transcriptase-against-hiv-infections
#16
JOURNAL ARTICLE
Muhammad Shahab, Guojun Zheng, Yousef A Bin Jardan, Mohammed Bourhia
Acquired immunodeficiency syndrome (AIDS) is a potentially fatal condition affecting the human immune system, which is attributed to the human immunodeficiency virus (HIV). The suppression of reverse transcriptase activity is a promising and feasible strategy for the therapeutic management of AIDS. In this study, we employed machine learning algorithms, such as support vector machines (SVM), k-nearest neighbor (k-NN), random forest (RF), and Gaussian naive base (GNB), which are fast and effective tools commonly used in drug design...
February 20, 2024: Journal of Biomolecular Structure & Dynamics
https://read.qxmd.com/read/38373300/mrndr-multihead-attention-based-recommendation-network-for-drug-repurposing
#17
JOURNAL ARTICLE
Xin Feng, Zhansen Ma, Cuinan Yu, Ruihao Xin
As is well-known, the process of developing new drugs is extremely expensive, whereas drug repurposing represents a promising approach to augment the efficiency of new drug development. While this method can indeed spare us from expensive drug toxicity and safety experiments, it still demands a substantial amount of time to carry out precise efficacy experiments for specific diseases, thereby consuming a significant quantity of resources. Therefore, if we can prescreen potential other indications for selected drugs, it could result in substantial cost savings...
February 19, 2024: Journal of Chemical Information and Modeling
https://read.qxmd.com/read/38367797/high-skilled-first-person-shooting-game-players-have-specific-frontal-lobe-activity-power-spectrum-analysis-in-an-electroencephalogram-study
#18
JOURNAL ARTICLE
Inhyeok Jeong, Naotsugu Kaneko, Ryogo Takahashi, Kimitaka Nakazawa
First-person shooting (FPS) games are among the most famous video games worldwide. However, cortical activities in environments related to real FPS games have not been studied. This study aimed to determine differences in cortical activity between low- and high-skilled FPS game players using 160-channel electroencephalography. Nine high-skilled FPS game players (official ranks: above the top 10%) and eight low-skilled FPS game players (official ranks: lower than the top 20%) were recruited for the experiment...
February 15, 2024: Neuroscience Letters
https://read.qxmd.com/read/38364223/short-term-changes-in-the-physiology-of-the-primary-motor-cortex-following-head-impact-exposure-during-a-canadian-football-game
#19
JOURNAL ARTICLE
Sophie-Andrée Vinet, Géraldine Martens, Samuel Guay, Amélie Apinis-Deshaies, Johan Merbah, Bertrand R Caré, Laurie-Ann Corbin-Berrigan, Eric Wagnac, Louis De Beaumont
OBJECTIVE: This study investigated the association between head impact exposure (HIE) during varsity Canadian football games and short-term changes in cortical excitability of the primary motor cortex (M1) using transcranial magnetic stimulation (TMS). METHODS: Twenty-nine university-level male athletes wore instrumented mouth guards during a football game to measure HIE. TMS measurements were conducted 24 hours before and 1-2 hours after the game. Twenty control football athletes were submitted to a noncontact training session and underwent identical TMS assessments...
February 16, 2024: Journal of Neurosurgery
https://read.qxmd.com/read/38350115/a-3d-printed-phantom-for-stereotactic-body-radiation-therapy-simulation
#20
JOURNAL ARTICLE
Ying-Hao Yu, Tsung-Yu Yen, Shih-Kai Hung, Shi-He Chen, Kuei-Ying Wang
In modern radiation therapy for lung cancer, examining the uncertainty between tumor motion and beam delivery is vitally important. To lower the radiation dose delivery to the patient's normal tissue, narrowing the irradiation field margin to hit the tumor accurately is critical. Thus we proposed a phantom that simulates the thorax and lung tumor's motions by employing a 3D printing technique. The
lung tumor is controlled by a linear miniature Delta robot arm, with a maximum displacement of 20 mm in each direction...
February 13, 2024: Biomedical Physics & Engineering Express
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