An adaptive approach for online monitoring of large-scale data streams.

Authors: Cao, Shuchen¹ (AUTHOR), Zhang, Ruizhi² (AUTHOR) ruizhi.zhang@uga.edu

Source: IISE Transactions. Feb2025, Vol. 57 Issue 2, p119-130. 12p.

Subject Terms: *Distributed computing, *Parallel programming, False discovery rate, Motivation (Psychology)

MarketLine Company Profile: Windtree Therapeutics Inc.

Source: Windtree Therapeutics Inc MarketLine Company Profile. 1/19/2025, p1-27. 27p.

Subject Terms: *Biotechnology industries, *Surface active agents industry

Geographic Terms: Warrington (Bucks County, Pa. : Township)

Company/Entity: Discovery Laboratories Inc. 171938970

Gum-on-a-Chip Exploring Host-Microbe Interactions: Periodontal Disease Modeling and Drug Discovery.

Authors: Hu, Qin¹ (AUTHOR), Acharya, Aneesha^1,2 (AUTHOR), Shum, Ho Cheung^3,4 (AUTHOR), Leung, Wai Keung¹ (AUTHOR), Pelekos, George¹ (AUTHOR) george74@hku.hk

Source: Journal of Tissue Engineering. 3/12/2025, p1-16. 16p.

Subject Terms: *DRUG discovery, *PERIODONTAL disease, *MICROPHYSIOLOGICAL systems, *CELL anatomy, *CELL migration, *PORPHYROMONAS gingivalis

Fifteen years of ChEMBL and its role in cheminformatics and drug discovery.

Authors: Zdrazil, Barbara¹ (AUTHOR) bzdrazil@ebi.ac.uk

Source: Journal of Cheminformatics. 3/10/2025, Vol. 17 Issue 1, p1-9. 9p.

Subject Terms: *DRUG discovery, *CHEMINFORMATICS, *DATABASES, *BIOINFORMATICS, *CONTINENTS

CPHNet: a novel pipeline for anti-HAPE drug screening via deep learning-based Cell Painting scoring.

Authors: Sun, De-zhi¹ (AUTHOR), Yang, Xi-ru^1,2 (AUTHOR), Huang, Cong-shu³ (AUTHOR), Bai, Zhi-jie¹ (AUTHOR), Shen, Pan¹ (AUTHOR), Ni, Zhe-xin¹ (AUTHOR), Huang-fu, Chao-ji¹ (AUTHOR), Hu, Yang-yi² (AUTHOR), Wang, Ning-ning¹ (AUTHOR), Tang, Xiang-lin¹ (AUTHOR), Li, Yong-fang² (AUTHOR), Gao, Yue^1,2,4 (AUTHOR) gaoyue@bmi.ac.cn, Zhou, Wei^1,2 (AUTHOR) zhouweisyl802@163.com

Source: Respiratory Research. 3/8/2025, Vol. 26 Issue 1, p1-18. 18p.

Subject Terms: *DRUG discovery, *DEEP learning, *MOUNTAIN sickness, *PHENOTYPIC plasticity, *HYPOXEMIA, *DRUG target, *CELL imaging, *DRUG design

Improving drug repositioning accuracy using non-negative matrix tri-factorization.

Authors: Li, Qingmei¹ (AUTHOR), Wang, Yangyang² (AUTHOR), Wang, Jihan³ (AUTHOR), Zhao, Congzhe¹ (AUTHOR) 849855369@qq.com

Source: Scientific Reports. 3/6/2025, Vol. 15 Issue 1, p1-12. 12p.

Subject Terms: *DRUG repositioning, *DRUG discovery, *NONNEGATIVE matrices, *INDIVIDUALIZED medicine, *DRUG design

Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using neural network-based structure-activity models.

Authors: Friesacher, Hannah Rosa^1,2 (AUTHOR) rosa.friesacher@kuleuven.be, Engkvist, Ola^2,3 (AUTHOR) ola.engkvist@astrazeneca.com, Mervin, Lewis⁴ (AUTHOR) lewis.mervin1@astrazeneca.com, Moreau, Yves¹ (AUTHOR) yves.moreau@esat.kuleuven.be, Arany, Adam¹ (AUTHOR) adam.arany@esat.kuleuven.be

Source: Journal of Cheminformatics. 3/5/2025, Vol. 17 Issue 1, p1-24. 24p.

Subject Terms: *DRUG discovery, *MATHEMATICAL statistics, *BAYESIAN analysis, *ARTIFICIAL intelligence, *DEEP learning, *LOGISTIC regression analysis

CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liability.

Authors: Kyro, Gregory W.^1,2 (AUTHOR) gregory.kyro@yale.edu, Martin, Matthew T.² (AUTHOR), Watt, Eric D.² (AUTHOR), Batista, Victor S.¹ (AUTHOR) victor.batista@yale.edu

Source: Journal of Cheminformatics. 3/5/2025, Vol. 17 Issue 1, p1-20. 20p.

Subject Terms: *GRAPH neural networks, *DRUG discovery, *GENERATIVE artificial intelligence, *VIRTUAL high-throughput screening (Drug development), *MEDICAL sciences, *CONOTOXINS

Molecular Identification of New Recorded Morels from Kashmir, Western Himalayas.

Authors: Ullah, Tariq Saiff¹ tariqbot89@gmail.com, Firdous, Syeda Sadiqa², Manzoor, Muhammad³, Gillani, Syed Waseem⁴ sgillani@bs.qau.edu.pk, Shier, Wayne Thomas⁵, Khan, Muhammad Nauman⁶, Kaplan, Alevcan⁷, Almoallim, Hesham S.⁸, Ansari, Mohammad Javed⁹

Source: Polish Journal of Environmental Studies. 2025, Vol. 34 Issue 2, p1321-1331. 11p.

Subject Terms: *DRUG discovery, *RIBOSOMAL DNA, *MOLECULAR phylogeny, *NUCLEAR DNA, *EDIBLE fungi

Geographic Terms: HIMALAYA Mountains

Ovarian Mechanobiology: Understanding the Interplay Between Mechanics and Follicular Development.

Authors: Wang, Haiyang¹ (AUTHOR) mbihw@nus.edu.sg, Yang, Liuqing² (AUTHOR)

Source: Cells (2073-4409). Mar2025, Vol. 14 Issue 5, p355. 19p.

Subject Terms: *OVARIAN reserve, *DRUG discovery, *MACHINE translating, *PI3K/AKT pathway, *TECHNOLOGICAL innovations, *OVARIAN follicle

In silico discovery of a novel potential allosteric PI3Kα inhibitor incorporating 2-oxopropyl urea targeting head and neck squamous cell carcinoma.

Authors: Jia, Wenqing¹ (AUTHOR) wenqingjia0312@163.com, Li, Guangzhuang² (AUTHOR), Cheng, Xianchao³ (AUTHOR), Zhang, Ruijie¹ (AUTHOR), Ma, Yukui¹ (AUTHOR) yaoliduli@163.com

Source: BMC Chemistry. 2/28/2025, Vol. 19 Issue 1, p1-15. 15p.

Subject Terms: *DRUG discovery, *HEAD & neck cancer, *VIRTUAL high-throughput screening (Drug development), *SQUAMOUS cell carcinoma, *PHOSPHATIDYLINOSITOL 3-kinases, *NECK

Phenazine Scaffolds as a Potential Allosteric Inhibitor of LasR Protein in Pseudomonas aeruginosa.

Authors: Nketia, Prisca Baah^1,2 (AUTHOR), Manu, Prince^1,2 (AUTHOR), Osei-Poku, Priscilla^2,3 (AUTHOR), Kwarteng, Alexander^2,3 (AUTHOR) senkwarteng@yahoo.co.uk

Source: Bioinformatics & Biology Insights. 2/20/2025, p1-13. 13p.

Subject Terms: *TRANSCRIPTION factors, *DRUG discovery, *PSEUDOMONAS aeruginosa, *SMALL molecules, *BACTERIAL diseases, *QUORUM sensing

MFCADTI: improving drug-target interaction prediction by integrating multiple feature through cross attention mechanism.

Authors: Quan, Na¹ (AUTHOR), Ma, Shicheng² (AUTHOR), Zhao, Kai¹ (AUTHOR), Bi, Xuehua³ (AUTHOR) bxh0327@foxmail.com, Zhang, Linlin^2,4 (AUTHOR) zllnadasha@xju.edu.cn

Source: BMC Bioinformatics. 2/18/2025, Vol. 26 Issue 1, p1-16. 16p.

Subject Terms: *DRUG discovery, *DRUG development, *SOURCE code, *HETEROGENEITY, *FORECASTING

Harnessing pre-trained models for accurate prediction of protein-ligand binding affinity.

Authors: Li, Jiashan¹ (AUTHOR) lijiashan@ruc.edu.cn, Gong, Xinqi¹ (AUTHOR) xinqigong@ruc.edu.cn

Source: BMC Bioinformatics. 2/17/2025, Vol. 26 Issue 1, p1-21. 21p.

Subject Terms: *DRUG discovery, *CONSCIOUSNESS raising, *LIGANDS (Biochemistry), *BINDING sites, *SMALL molecules, *PROTEIN-ligand interactions

High-Throughput Screening of Five Compound Libraries for Anthelmintic Activity and Toxicity Leads to the Discovery of Two Flavonoid Compounds.

Authors: Galli, Giulio¹ (AUTHOR), Ruiz-Somacarrera, Marta² (AUTHOR), González del Palacio, Laura^2,3 (AUTHOR), Melcón-Fernández, Estela¹ (AUTHOR), González-Pérez, Rubén^1,2 (AUTHOR), García-Estrada, Carlos^1,3 (AUTHOR), Martinez-Valladares, Maria² (AUTHOR), Balaña-Fouce, Rafael^1,3 (AUTHOR)

Source: International Journal of Molecular Sciences. Feb2025, Vol. 26 Issue 4, p1595. 18p.

Subject Terms: *CHEMICAL libraries, *DRUG discovery, *ANTHELMINTICS, *HIGH throughput screening (Drug development), *NEMATODE infections, *HAEMONCHUS contortus

Novel Method for the Rapid Establishment of Antibiotic Susceptibility Profiles in Bacterial Strains Linked to Musculoskeletal Infections Using Scattered Light Integrated Collector Technology.

Authors: Bertheloot, Damien¹ (AUTHOR), Nessler, Vincent B.^1,2 (AUTHOR), Assaf, Elio^1,3 (AUTHOR), Amerschläger, Cosmea F.¹ (AUTHOR), Ali, Kani^1,2 (AUTHOR), Ossendorff, Robert^1,3 (AUTHOR), Jaenisch, Max¹ (AUTHOR), Strauss, Andreas C.¹ (AUTHOR), Burger, Christof¹ (AUTHOR), Walmsley, Phillip J.² (AUTHOR), Hischebeth, Gunnar T.^1,3 (AUTHOR), Wirtz, Dieter C.¹ (AUTHOR), Hammond, Robert J. H.² (AUTHOR), Schildberg, Frank A.¹ (AUTHOR) frank.schildberg@ukbonn.de

Source: International Journal of Molecular Sciences. Feb2025, Vol. 26 Issue 4, p1553. 14p.

Subject Terms: *PROSTHESIS-related infections, *DRUG discovery, *LIGHT scattering, *ANTI-infective agents, *DRUG resistance in bacteria

Discovery of Novel Pyridin-2-yl Urea Inhibitors Targeting ASK1 Kinase and Its Binding Mode by Absolute Protein–Ligand Binding Free Energy Calculations.

Authors: Wang, Lingzhi^1,2 (AUTHOR), Gao, Yalei^1,2 (AUTHOR), Chen, Yuying^1,2 (AUTHOR), Tang, Zhenzhou^1,2 (AUTHOR), Lin, Xiao^1,2 (AUTHOR), Bai, Meng^1,2 (AUTHOR), Cao, Pei^1,2 (AUTHOR) caopeicib@hotmail.com, Liu, Kai^1,2 (AUTHOR) kailiu@gxtcmu.edu.cn

Source: International Journal of Molecular Sciences. Feb2025, Vol. 26 Issue 4, p1527. 13p.

Subject Terms: *MITOGEN-activated protein kinases, *DRUG discovery, *MOLECULAR dynamics, *PROTEIN-ligand interactions, *MOLECULAR docking, *UREA

Zebrafish as a Suitable Model for Utilizing the Bioactivity of Coumarins and Coumarin-Based Compounds.

Authors: Lachowicz-Radulska, Joanna¹ (AUTHOR), Widelski, Jarosław² (AUTHOR), Nowaczyński, Filip^1,2,3 (AUTHOR), Serefko, Anna¹ (AUTHOR), Sobczyński, Jan^1,2 (AUTHOR), Ludwiczuk, Agnieszka^2,3 (AUTHOR), Kasica, Natalia³ (AUTHOR), Szopa, Aleksandra¹ (AUTHOR) aleksandra.szopa@umlub.pl

Source: International Journal of Molecular Sciences. Feb2025, Vol. 26 Issue 4, p1444. 32p.

Subject Terms: *DRUG discovery, *CENTRAL nervous system, *ZEBRA danio, *COUMARIN derivatives, *ANALYTICAL chemistry, *COUMARINS

Analysis of Anxiety Disorders and Post-Traumatic Stress Disorders for Screening Anxiolytic Drugs and Linking Preclinical and Clinical Research.

Authors: Kozłowska, Anna¹ (AUTHOR), Ma, Wan-Jiun² (AUTHOR), Shyu, Bai-Chuang³ (AUTHOR), Huang, Andrew Chih Wei^1,2 (AUTHOR) chweihuang@mail.fgu.edu.tw

Source: International Journal of Molecular Sciences. Feb2025, Vol. 26 Issue 4, p1414. 26p.

Subject Terms: *POST-traumatic stress disorder, *DRUG discovery, *ANXIETY disorders, *TRANQUILIZING drugs, *MEDICAL research

Advancing Glioblastoma Research with Innovative Brain Organoid-Based Models.

Authors: Correia, Cátia D.^1,2 (AUTHOR) a57384@ualg.pt, Calado, Sofia M.^1,3 (AUTHOR) sofia.am.calado@uac.pt, Matos, Alexandra¹ (AUTHOR) macampinho@ualg.pt, Esteves, Filipa^1,2 (AUTHOR), De Sousa-Coelho, Ana Luísa^1,4 (AUTHOR), Campinho, Marco A.^1,2 (AUTHOR), Fernandes, Mónica T.^1,4 (AUTHOR) mafernandes@ualg.pt

Source: Cells (2073-4409). Feb2025, Vol. 14 Issue 4, p292. 30p.

Subject Terms: *DRUG discovery, *HUMAN stem cells, *GENETIC techniques, *GLIOBLASTOMA multiforme, *TUMOR microenvironment