Results 201 to 210 of about 33,351,014 (255)

Artificial Intelligence‐Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae

Advanced Science, EarlyView.
Integrated artificial intelligence (AI) ensembles identify highly potent repurposed drugs against Streptococcus pneumoniae. Prospective virtual screening of 6747 drugs uncovers nine active candidates, including thiostrepton. This drug exhibits low picomolar potency and bypasses established resistance in multidrug‐resistant strains, demonstrating an ...
Joshua S. Fitch, Muhammad D. Ariadi, Min Jung Kwun, Leonie Howells, Saiveth Hernandez‐Hernandez, Nicholas J. Croucher, Pedro J. Ballester   +6 more
wiley   +1 more source

Structure-Based Virtual Screening of Plant-Derived Flavonoids as Putative GLUT9 Binders with Antioxidant Properties. [PDF]

Molecules
Kırboğa KK, Aktaş E, Küçüksille EU, Rudrapal M.   +3 more
europepmc   +1 more source

DDX3x Regulates NINJ1 Transcription via Histone Lactylation in Sepsis Associated‐Acute Kidney Injury

Advanced Science, EarlyView.
This study identifies a potential therapeutic approach for sepsis‐associated acute kidney injury (SA‐AKI). We found that during SA‐AKI, reduced expression of DDX3x in renal tubular epithelial cells mediates histone delactylation, which in turn upregulates NINJ1 transcription and triggers tubular cell death. Conversely, Odetiglucan confers protection by
Hongyu Liang, Jihong Jiang, Huanxin Yin, Chunyan Liu, Hongjun Huang, Yan Luo, Minmin Zhu, Qiuyun Wang   +7 more
wiley   +1 more source

Focused Structure-Based Virtual Screening Identifies Novel Inhibitors of SOS1. [PDF]

ACS Med Chem Lett
Bonomo S, Gibault F, Bagal SK, Blackwell JH, Breed J, Collie GW, Couturier M, Diène C, Di Fruscia P, Gray S, Hughes C, Jeyaharan D, Kettle JG, Milbradt AG, Northall S, Peters K, Stubbs CJ, Underwood E, Chen Y, Hao H, Lainchbury MD.   +20 more
europepmc   +1 more source

Detection of Degraded Formulated BaTiO3 Induced by Oxygen Vacancy Migration Using Ultrasonic Attenuation

Advanced Science, EarlyView.
Oxygen vacancy migration is a key degradation mechanism for the majority of MLCCs. There are limitations with spatially identifying regions of a capacitor that have degraded due to oxygen vacancy migration. This work showcases ultrasonic attenuation as a non‐electrical and nondestructive technique of identifying oxygen vacancy degraded regions of an ...
Haley N. Jones, Clive A. Randall, Andrea P. Argüelles, Susan Trolier‐McKinstry   +3 more
wiley   +1 more source

Discovery of Influenza Neuraminidase Inhibitors: Structure-Based Virtual Screening and Biological Evaluation of Novel Chemotypes. [PDF]

Molecules
Gitto R, Lombardo L, Ravenda A, Broccolo F, Mastino A, De Luca L, Marino-Merlo F.   +6 more
europepmc   +1 more source

Machine Learning‐Driven Design of Multicomponent Bone Inorganic Matrix Mimicking Scaffolds for Osteogenesis Enhanced by Neurogenesis

Advanced Science, EarlyView.
Schematic illustration of development of experimental datasets and algorithm models, screening and preparation of the scaffolds and their applications in vivo. ABSTRACT Bone defects require materials with osteogenic, neurogenic, and angiogenic activity, yet designing such materials within high‐dimensional compositional spaces remains challenging. Here,
Kunlu Lin, Ying Yang, Chuyao Zhou, Hanyue Mao, Zhiquan Zhang, Libangxi Liu, Xiaoying Yu, Haoming Liu, Long Liu, Xiaoyan Wang   +9 more
wiley   +1 more source

Discovery of the PARP1 Inhibitors from Natural Compounds Using Structure-Based Virtual Screening and Bioactivity Evaluation. [PDF]

Med Chem
Pan D, Huang Y, Jiang D, Jin X, Wu M, Luo J, Zhang Y.   +6 more
europepmc   +1 more source

F7 Drives Gastric Cancer Metastasis Through Anoikis Resistance and Tumor Microenvironment Remodeling

Advanced Science, EarlyView.
ABSTRACT Coagulation factor VII (F7) has been implicated in tumor progression; however, its role in gastric cancer metastasis and immune evasion remains incompletely understood. In this study, we identified F7 as a clinically relevant driver of gastric cancer.
Lei Gao, Qinying Han, Yunpeng Wang, Xuemei Li, Bofang Wang, Baohong Gu, Weidong Li, Lin Xiang, Ying Zhang, Hao Chen   +9 more
wiley   +1 more source

Bridging Structure- and Ligand-Based Virtual Screening through Fragmented Interaction Fingerprint

ACS Omega
Rezi Riadhi Syahdi, Swarit Jasial, Itsuki Maeda, Tomoyuki Miyao   +3 more
doaj   +1 more source