Druggability and molecular docking of essential secondary metabolites from Azadirachta indica leaf against angiotensin converting enzyme-2: Covid-19 in focus by Paul Chijioke Ozioko, Ukamaka Owohetete, Daniel Danladi Gaiya

“…Of the 5 FDAapproved medications for the treatment of COVID-19 under investigation, only paritaprevir was able to dock (representing 20%); while 6 out of the 12 compounds from A. indica were able to dock perfectly (representing 50%). …”
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Elucidation of the Molecular Interaction between miRNAs and the Gene, Involved in Acute Myeloid Leukemia, by the Assistance of Argonaute Protein through a Computational Approach by Rohit Pritam Das, V. Badireenath Konkimalla, Surya Narayan Rath, Jagadish Hansa, Manaswini Jagdeb

“…The residual interaction and hydrogen bonding are inspected in Discovery Studio 3.5 suites. The current investigation throws light on understanding of AGO-assisted miRNA based gene silencing mechanism in HOXA9 gene associated in acute myeloid leukemia computationally.…”
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Resolving the electronic ground state of La3Ni2O7-δ films by Xiaolin Ren, Ronny Sutarto, Xianxin Wu, Jianfeng Zhang, Hai Huang, Tao Xiang, Jiangping Hu, Riccardo Comin, Xingjiang Zhou, Zhihai Zhu

“…Abstract The recent discovery of a superconductivity signature in La3Ni2O7-δ under a pressure of 14 GPa, with a superconducting transition temperature of around 80 K, has attracted considerable attention. …”
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Influence of Mesalazine on Ferroptosis-Related Gene Expression in In Vitro Colorectal Cancer Culture by Joanna Słoka, Barbara Strzałka-Mrozik, Sebastian Kubica, Ilona Nowak, Celina Kruszniewska-Rajs

“…Ferroptosis is characterized by iron imbalance and the accumulation of lipid peroxides and reactive oxygen species (ROS), leading to cellular damage and death. Thus, the discovery of safe inducers of ferroptosis, offering new hope in the struggle against CRC, remains crucial. …”
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A multidimensional Bayesian IRT method for discovering misconceptions from concept test data by Martin Segado, Aaron Adair, John Stewart, Yunfei Ma, Byron Drury, David Pritchard

“…Our procedure is based on a Bayesian implementation of the Multidimensional Nominal Categories IRT model (MNCM) combined with standard factor-analytic rotation methods; by analyzing student responses at the level of individual distractors rather than at the level of entire questions, this approach is able to highlight multiple likely misconceptions for subsequent investigation without requiring any manual labeling of test content. …”
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EVALUATION OF ANTIBACTERIAL ACTIVITY OF TRICHILIA DREGEANA SOND (MELIACEAE) CRUDE EXTRACTS AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA by Tesfa Mossie, Temesgen Kasa, Bekesis Urge, Hilena Yifred

“… Medicinal plants have been playing a crucial role in drug discovery and development against infectious diseases. …”
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Evaluation of root development of mandibular first molar of children (6-12) years old visiting P.O.P. department College of Dentistry/ Hawler Medical University. by Yara Ismail Ameen, Manal Muhammed Taher, Mahmood Fawzi Abduljabar

“… Background and objective: With FPMs between the ages of 6 and 12, the detection of open apex in some children at age 12 underlines the necessity for investigation prior to treating a deep carious lesion.Pulpal involvement was considered before the surgery began. …”
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Coronil effectively inhibits the interaction of clinically relevant Omicron mutants of SARS-CoV-2 spike proteins with human ACE2 receptor by Acharya Balkrishna, Rishabh Dev, Sandeep Kumar, Anurag Varshney

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Fully automated CFD simulation system research based on design scheme tree by Zijun Liu

“…Abstract Compared with the remarkable achievements of computer-aided drug discovery systems for drug discovery, the role of computational fluid dynamics (CFD) in flow channel design requires further development. …”
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Isolation of MDCK cells with low expression of mdr1 gene and their use in membrane permeability screening by BOKULIĆ ANA, PADOVAN JASNA, STUPIN-POLANČEC DARIJA, MILIĆ ASTRID

“…Because MDCK wild type (WT) is genetically heterogeneous, an isolation procedure was investigated in this study to obtain the subclonal line with low P-glycoprotein expression. …”
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Insulin Treatment Attenuates Small Nerve Fiber Damage in Rat Model of Type 2 Diabetes by Laura J. Andreasen, Rikke K. Kirk, Christian Fledelius, Mark A. Yorek, Jens Lykkesfeldt, Thorbjorn Akerstrom

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Cytotoxicity Potentials of Eleven Bangladeshi Medicinal Plants by Amina Khatun, Mahmudur Rahman, Tania Haque, Md. Mahfizur Rahman, Mahfuja Akter, Subarna Akter, Afrin Jhumur

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Analysis of 42 Years of Cosmic Ray Measurements by the Neutron Monitor at Lomnický štít Observatory by Imre Kisvárdai, Filip Štempel, Lukáš Randuška, Šimon Mackovjak, Ronald Langer, Igor Strhárský, Ján Kubančák

“…As part of the selection of events for case studies, we report the discovery of TGE‐s visible in the data. Applying the Pearson method for statistical analysis, we quantified the linear correlation of the data sets. …”
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Regulation of adipocyte differentiation and lipid metabolism by novel synthetic chromenes exploring anti-obesity and broader therapeutic potential by Kewalin Inthanon, Natthawut Wong-a-nan, Srisulak Dheeranupattana, Andres Garcia Guerra, Neal M. Davies, Chatchai Kesornpun, Sasithorn Sangher, Prasat Kittakoop

“…This modeling provides prospective anti-HIV activity, pharmacokinetic, metabolism, and permeability data, setting the groundwork for further investigation into these potential new chemical entities.…”
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Evolutionary constrained genes associated with autism spectrum disorder across 2,054 nonhuman primate genomes by Yukiko Kikuchi, Mohammed Uddin, Joris A. Veltman, Sara Wells, Christopher Morris, Marc Woodbury-Smith

“…However, there are still significant gaps in our understanding of the link between genomics, neurobiology and clinical phenotype in scientific discovery. New models are therefore needed to address these gaps. …”
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ZINQ-L: a zero-inflated quantile approach for differential abundance analysis of longitudinal microbiome data by Shuai Li, Runzhe Li, John R. Lee, John R. Lee, Ni Zhao, Wodan Ling

“…As a regression method with minimal distributional assumptions, it is robust to the complex microbiome data, controlling false discovery rate, and is flexible to adjust for important covariates. …”
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Mapping knowledge landscapes and emerging trends in artificial intelligence for antimicrobial resistance: bibliometric and visualization analysis by Zhongli Wang, Zhongli Wang, Gaopei Zhu, Shixue Li, Shixue Li

“…This study serves not only an identification of current trends, but also, and especially, offers a strategic approach to further investigations.…”
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Oral Administration of Piperine as Curative and Prophylaxis Reduces Parasitaemia in Plasmodium berghei ANKA-Infected Mice by Shafia Khairani, Nisa Fauziah, Hesti Lina Wiraswati, Ramdan Panigoro, Endang Yuni Setyowati, Afiat Berbudi

“…Malaria remains a public health problem and a leading cause of death worldwide. Consequently, the discovery of novel agents, including substances from medicinal plants, is urgently needed. …”
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TAB2 deficiency induces dilated cardiomyopathy by promoting mitochondrial calcium overload in human iPSC-derived cardiomyocytes by Wenrui Sun, Jianchao Zhang, Shuang Li, Wanrong Fu, Yangyang Liu, Mengduan Liu, Jianzeng Dong, Xiaoyan Zhao, Xiaowei Li

“…More importantly, the discovery of a unique pathogenic pathway introduces a new notion for the future management of dilated cardiomyopathy.…”
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Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders by Muhammad Waleed Iqbal, Muhammad Shahab, Zakir ullah, Guojun Zheng, Irfan Anjum, Gamal A. Shazly, Atrsaw Asrat Mengistie, Xinxiao Sun, Qipeng Yuan

“…Finally, toxicity analysis revealed orlistat and acarbose as the possible safer therapeutics by eliminating afatinib as it showed significant toxicity concerns. Our investigation supports the advance computational methods utilization in the field of drug discovery and suggest further experimental validation of proposed inhibitors of Src kinase for their safer use against inflammatory diseases. …”
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