Results 61 to 70 of about 26,236 (204)

Evaluating the structure-based virtual screening performance of SARS-CoV-2 main protease: A benchmarking approach and a multistage screening example against the wild-type and Omicron variants.

PLoS ONE
COVID-19 still poses a worldwide health threat due to continuous viral mutations and potential resistance to vaccination. SARS-CoV-2 viral multiplication hindrance by inhibiting the viral main protease (Mpro) deemed propitious.
Noha Galal, Botros Y Beshay, Omar Soliman, Muhammad I Ismail, Mohamed Abdelfadil, Mohamed El-Hadidi, Reem K Arafa, Tamer M Ibrahim   +7 more
doaj   +1 more source

Uncoupling Type I Interferon Benefits From Inflammatory Toxicity: Transformer‐Prioritized Precision Agonists for Potent and Safer Cancer Immunotherapy

Advanced Science, EarlyView.
A Transformer‐based AI framework, DLINP, screens millions of compounds to identify Co68, a cobalt‐pincer organometallic complex that biases TLR4‐MD2 signaling toward antitumor interferon activation while suppressing inflammatory toxicity through an early TLR4‐SYK‐STAT1 axis.
Xuefei Guo, Yang Zhao, Xianle Rong, Xingyu Chen, Xiao Wang, Tianyi Liu, Yunfei Xie, Yushu Zou, Pingsen Zhao, Qiang Liu, Fuping You   +10 more
wiley   +1 more source

In vitro and bioinformatics evaluation of Origanum vulgare oil against Acinetobacter baumannii proteins

International Journal of Secondary Metabolite
Acinetobacter baumannii is a highly pathogenic, multidrug-resistant bacterium, posing a significant clinical challenge. Targeting key proteins such as OmpA and LigA offers potential for novel antimicrobial strategies.
Gizem Köprülülü Küçük, Tuğba Kaman, Ahmed Badri Abed, Safiye Elif Korcan, Muhsin Konuk   +4 more
doaj   +1 more source

CDK4/MERCs/PINK1 Axis Drives PFOA/HFPO‐TA‐Induced Cardiac Senescence via Mitophagy Defect and cGAS‐STING Activation: In Vitro Amelioration by Cycloastragenol

Advanced Science, EarlyView.
The present study demonstrated that PFOA and HFPO‐TA exposure suppressed CDK4, disrupted MERCs and impaired PINK1/Parkin‐mediated mitophagy, thereby accelerating cardiac senescence, whereas CAG effectively reversed these pathological changes in vitro. Our findings identify CDK4 as a critical regulator bridging mitophagy defects and cardiac senescence ...
Nuo‐Wa Li, Jun‐Ze Jiang, Ying‐Ying Liu, Tian‐Tian Zhang, Kanwar Kumar Malhi, Xin Yao, Jin‐Long Li   +6 more
wiley   +1 more source

Gut Microbiota‐Isoallolithocholic Acid Crosstalk Promotes Calcium Oxalate Kidney Stone Formation via PARP1‐Mediated Parthanatos

Advanced Science, EarlyView.
ABSTRACT Bile acids have been implicated in calcium oxalate (CaOx) nephrolithiasis. Here, we employ multi‐omics approaches to identify isoallolithocholic acid (isoalloLCA) as the key bile acid elevated in the feces, serum, kidney, and urine of CaOx rats, confirmed by spatial metabolomics.
Zijian Zhou, Ruixi Yu, Xuan Zhou, Feng Shi, Zeyu Lin, Peng Gao, Lujia Wang, Ninghan Feng, Zhong Wu, Dawei Wang   +9 more
wiley   +1 more source

PREDICTION OF UREASE INHIBITORS AS ANTIMICROBIALS FOR THE TREATMENT OF PATHOGENIC ENTEROBACTER

Brazilian Journal of Infectious Diseases
Introduction: Enterobacter is a bacterial genus that includes opportunistic pathogenic species associated with nosocomial infections, such as E. cloacae and E. hormaechei.
João Pedro Vasques da Conceição, Ana Lídia Pires de Assis Pinto, Fabio Faria da Mota   +2 more
doaj   +1 more source

Targeting β2‐Adrenergic Receptor Stability With Lycorine Reveals a Host‐Directed Pathway for Antiviral Defense Against Poxviruses

Advanced Science, EarlyView.
Chronic stress drives autophagy‐mediated β2‐AR degradation, impairing antiviral immunity and promoting poxvirus lethality. Lycorine directly stabilizes β2‐AR to restore host defense, suppress excessive inflammation and improve survival. ABSTRACT Psychological stress is a pervasive yet poorly understood modulator of infectious disease outcomes. Here, we
Xin Zhang, Shuqin Xu, Zixuan Zhang, Chenwen Wan, Xiaoqin Wang, Peihua Wang, Huini Yang, Tianxiao Huang, Yijia Yuan, Faiza Atique, Rui Yang, Yingli He, Zhijun Liu   +12 more
wiley   +1 more source

STUDI KOMPUTASI INTERAKSI ISOFLAVON DENGAN RESEPTOR ESTROGEN β MENGGUNAKAN METODE ONIOM

EduChemia, 2016
Reseptor Estrogen (RE) β merupakan target penting dalam dunia pengobatan untuk mencari hormon pengganti pada wanita menopause dan obat kemoterapi melawan kanker.
Budi Mulyati
doaj   +1 more source

Repurposing FDA‐Approved Drugs to Inhibit Fungal PPTases for Broad‐Spectrum Synergy

Advanced Science, EarlyView.
Fungal secondary metabolites serve as crucial virulence effectors; however, the potential of their biosynthetic pathways as antifungal targets remains inadequately comprehended. Repurposed FDA‐approved drugs inhibit fungal PPTase (essential for secondary metabolism) in vivo.
Zili Song, Can Zhao, Qiaoling Wang, Hongjiao Zhang, Xiao Liu, Linqi Wang, Michael Bromley, Wen‐Bing Yin   +7 more
wiley   +1 more source

Dual pKa Lipid Nanoparticles for Lung‐tropic mRNA Delivery and pH‐Programmed Endosomal Escape

Advanced Science, EarlyView.
Lipid nanoparticles’ bottleneck lies in low endosomal escape efficiency and liver‐dominant delivery after intravenous administration. To overcome these limitations, we present a stepwise pH‐programmed lipid nanoparticle system enabled by our newly synthesized ionizable lipid.
Seong Gi Lim, Minju Lee, Yiming Wang, Eunjin Choi, Ji Sun Park, Kyungmin Park, Hayoung Jeon, Donghyun Kim, Donghyun Lee, Yeeun Lee, Kee‐Pyo Kim, Eunha Kim, Heebeom Koo   +12 more
wiley   +1 more source