Results 171 to 180 of about 28,587,314 (277)

On the relevance of query definition in the performance of 3D ligand-based virtual screening. [PDF]

J Comput Aided Mol Des
Vázquez J, García R, Llinares P, Luque FJ, Herrero E.   +4 more
europepmc   +1 more source

Plant‐Derived Extracts Disrupt Biofilm Formation and Quorum Sensing in Yersinia enterocolitica: Insights From GC‐MS and Molecular Docking

Food Chemistry International, EarlyView.
The graphical abstract represents how natural plant products that preferentially target the specific receptors of quorum sensing could be developed to combat biofilms linked to Yersinia enterocolitica using the potent abilities of protein–ligand complexes with high docking scores.
Rajendran Thomas, Songeeta Singha, Devarshi Bharadwaj, Abinash Kumar, Dolly Sharma, Sadhana Ojha, Hirakjyoti Das, Vivek Kumar Gupta   +7 more
wiley   +1 more source

Recent progress and challenges in top‐emitting quantum dot light‐emitting diodes

FlexMat, EarlyView.
This review summarizes recent advances in top‐emitting quantum‐dot light‐emitting diodes (TE‐QLEDs), including device architectures, microcavity engineering, angular‐emission management, and operational stability, highlighting optical–electrical–thermal co‐optimization as the key pathway toward reliable, high‐performance TE‐QLEDs. Abstract Top‐emitting
Chengyi Chen, Yuqi Liang, Mian Wei, Qiulei Xu, Huimin Zhang, Zhenghui Wu, Huaibin Shen   +6 more
wiley   +1 more source

Artificial structures for human‐machine interfaces with closed‐loop interaction

FlexMat, EarlyView.
Artificial structures bridge sensing and feedback in closed‐loop human‐machine interfaces by providing geometry‐enabled mechanical and functional programmability. This review maps the role of artificial structures in diverse sensing modalities and feedback strategies, and illustrates their integration into closed‐loop interaction systems, highlighting ...
Taiqi Hu, Taisong Pan, Siqi Chen, Yiting Zhang, Yuan Lin   +4 more
wiley   +1 more source

Ligand-Based Virtual Screening for Discovery of Indole Derivatives as Potent DNA Gyrase ATPase Inhibitors Active against Mycobacterium tuberculosis and Hit Validation by Biological Assays. [PDF]

J Chem Inf Model
Pakamwong B, Thongdee P, Kamsri B, Phusi N, Taveepanich S, Chayajarus K, Kamsri P, Punkvang A, Hannongbua S, Sangswan J, Suttisintong K, Sureram S, Kittakoop P, Hongmanee P, Santanirand P, Leanpolchareanchai J, Spencer J, Mulholland AJ, Pungpo P.   +18 more
europepmc   +1 more source

Cysteine Peptidases in Antitumor Immunity: Unraveling Antigen‐Presenting Cell Regulation and Therapeutic Potential

iMetaMed, EarlyView.
This review systematically summarizes the central role of cysteine peptidases in modulating antigen‐presenting cell (APC) function and antitumor immune responses, highlighting their critical significance in overcoming tumor immune evasion. Current research has established that cysteine peptidase subtypes, including cathepsins B, S, L, and X, exert ...
Yimao Wu, Xiaoyan Chen, Zichang Chen, Yalun Liang, Gokhan Zengin, Qian Zhang, Wenlong Sun, Meng‐Yao Li   +7 more
wiley   +1 more source

Ligand-based virtual-screening identified a novel CFTR ligand which improves the defective cell surface expression of misfolded ABC transporters. [PDF]

Front Pharmacol
Taniguchi S, Berenger F, Doi Y, Mimura A, Yamanishi Y, Okiyoneda T.   +5 more
europepmc   +1 more source

ATP Citrate Lyase in Metabolic Disease: Mechanistic Insights and Clinical Potential

iNew Medicine, EarlyView.
ATP citrate lyase (ACLY) is a central metabolic hub that diverts mitochondrial citrate to fuel de novo lipogenesis, cholesterol biosynthesis, and protein acetylation. Given its robust correlation with pathological changes in multiple human diseases, ACLY inhibitors featuring distinct pharmacological strengths have been developed for therapeutic ...
Wenbiao Wang, Xinyan Li, Honglu Shi, Gaolei Song, Zhifu Xie, Jingya Li   +5 more
wiley   +1 more source

Identifying and characterising promising small molecule inhibitors of kinesin spindle protein using ligand-based virtual screening, molecular docking, molecular dynamics and MM‑GBSA calculations. [PDF]

J Comput Aided Mol Des
Elseginy SA.
europepmc   +1 more source

Specific peptide enrichment strategies for neuropsychiatric disorders: From material design to diagnostic applications

Interdisciplinary Medicine, EarlyView.
This review outlines specific peptide enrichment strategies, including metal, magnetic oxides, functional polymers, and antibody‐based approaches, and their mechanisms, highlighting applications in biomarker discovery for major neurological and psychiatric disorders.
Xue Zhang, Yejiao Shi, Minghui Guo, Yang Huang, Yirong Wang, Leping Huang, Helena S. Azevedo, Honggang Hu, Xin Dong   +8 more
wiley   +1 more source