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Academic Articles & Research Papers
Showing 14 of 14 academic articles
Ahmad Hasan, Wadi B. Alonazi, Muhammad Ibrahim, Li Bin • Microorganisms
(2024)
Vandammella animalimorsus is a Gram-negative and non-motile bacterium typically transmitted to humans through direct contact with the saliva of infected animals, primarily through biting, scratches, or licks on fractured skin. The absence o...
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Open Access (DOAJ)
DOI: 10.3390/microorganisms12071270
Sardar Ali, Firasat Hussain, Tehmeena Nousheen, Kashif Rahim et al. • Frontiers in Microbiology
(2025)
IntroductionMultidrug-resistant urinary tract pathogens, primarily Klebsiella pneumoniae and Pseudomonas aeruginosa, represent a significant and growing public health challenge. The overuse of antibiotics has accelerated the development of ...
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Open Access (DOAJ)
DOI: 10.3389/fmicb.2025.1704938
Maria Angelova, Petko Alov, Ivanka Tsakovska, Dessislava Jereva et al. • Molecules
(2025)
Scoring functions are key elements in docking protocols as they approximate the binding affinity of a ligand (usually a small bioactive molecule) by calculating its interaction energy with a biomacromolecule (usually a protein). In this stu...
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Open Access (DOAJ)
DOI: 10.3390/molecules30132777
Cheng J, Huang Y • Journal of Inflammation Research
(2026)
Jian Cheng, Yangfeng Huang Department of Traditional Chinese Medicine, Sichuan Provincial People’s Hospital, School of Medicine,University of Electronic Science and Technology of China, Chengdu, Sichuan, People’s Republic of ChinaCorrespond...
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Open Access (DOAJ)
Siva Sankar Murthy Bandaru, Darinka Dzubiel, Heiko Ihmels, Mohebodin Karbasiyoun et al. • Beilstein Journal of Organic Chemistry
(2018)
9-Arylbenzo[b]quinolizinium derivatives were prepared with base-free Suzuki–Miyaura coupling reactions between benzo[b]quinolizinium-9-trifluoroborate and selected benzenediazonium salts. In addition, the Sonogashira coupling reaction betwe...
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Open Access (DOAJ)
DOI: 10.3762/bjoc.14.161
Atanu Singha Roy, Amit Kumar Dinda, Nitin Kumar Pandey, Swagata Dasgupta • Journal of Pharmaceutical Analysis
(2016)
The interaction of baicalein with bovine serum albumin (BSA) was investigated with the help of spectroscopic and molecular docking studies. The binding affinity of baicalein towards BSA was estimated to be in order of 105 M−1 from fluoresce...
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Open Access (DOAJ)
DOI: 10.1016/j.jpha.2016.04.001
Hao Tang, Ting Qin, Zhiwen Yan, Changqing Li et al. • Frontiers in Neuroscience
(2026)
ObjectiveDioctyl terephthalate (DOTP), a widely used plasticizer in food packaging and environmental materials, has raised concerns regarding its potential impact on human health. This study aims to investigate the neurotoxicity-related mec...
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Open Access (DOAJ)
DOI: 10.3389/fnins.2026.1783807
Angelo Vedani, Martin Smiesko, Morena Spreafico, Ourania Peristera et al. • ALTEX: Alternatives to Animal Experimentation
(2009)
The VirtualToxLab™ is an in silico tool for predicting the toxic (endocrine-disrupting) potential of drugs, chemicals and natural products. It is based on a fully automated protocol and calculates the binding affinity of any molecule of int...
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Open Access (DOAJ)
DOI: 10.14573/altex.2009.3.167
Lufei Chen, Chaoxian Dai, Zhenfang Wu, Yuhan Lin et al. • Journal of Xenobiotics
(2026)
Accumulating epidemiological evidence links ambient PM2.5 exposure to elevated Parkinson’s disease (PD) risk, yet the neurotoxicity triggered by PM2.5 multi-pollutant mixtures under real co-exposure scenarios remains insufficiently elucidat...
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Open Access (DOAJ)
DOI: 10.3390/jox16060184
Yashuai Wu, Ruiyang Yin, Wenjing Tian, Wanqiu Zhao et al. • Foods
(2026)
Umami taste in lager beer not only determined body fullness and the backbone of aftertaste, but also affected the controllability and interpretability of flavor expression across the entire brewing process. Based on stage-wise sampling, pep...
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Open Access (DOAJ)
DOI: 10.3390/foods15040641
Nanxia Zhao, Nicola L. Francis, Shuang Song, Vladyslav Kholodovych et al. • Advanced NanoBiomed Research
(2022)
Neuroinflammation is one of the hallmarks contributing to Parkinson's disease (PD) pathology, where microglial activation occurs as one of the earliest events, triggered by extracellular α‐synuclein (aSYN) binding to the cluster of differen...
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Open Access (DOAJ)
DOI: 10.1002/anbr.202100120
Xinxin Yu, Yimeng Wang, Long Chen, Weihua Li et al. • Journal of Pharmaceutical Analysis
(2025)
Activity cliffs (ACs) are generally defined as pairs of similar compounds that only differ by a minor structural modification but exhibit a large difference in their binding affinity for a given target. ACs offer crucial insights that aid m...
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Open Access (DOAJ)
DOI: 10.1016/j.jpha.2025.101317
Mingsong Shi, Mingsong Shi, Zhi Yang, Yuhan Yang et al. • Frontiers in Chemistry
(2026)
Fibroblast activation protein (FAP) is a highly specific biomarker overexpressed in cancer-associated fibroblasts, making it a promising diagnostic target. Developing novel high-affinity molecular probes for FAP-targeted diagnostics remains...
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Open Access (DOAJ)
DOI: 10.3389/fchem.2026.1848970
Sadettin Y. Ugurlu, David McDonald, Huangshu Lei, Alan M. Jones et al. • Journal of Cheminformatics
(2024)
Abstract Probing the surface of proteins to predict the binding site and binding affinity for a given small molecule is a critical but challenging task in drug discovery. Blind docking addresses this issue by performing docking on binding r...
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Open Access (DOAJ)
DOI: 10.1186/s13321-023-00793-x