Results 291 to 300 of about 388,426 (349)

Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets. [PDF]

J Chem Inf Model
Raush E, Totrov M, Hoop CL, Knowlan KM, Bianchi R, Tarasova NI.   +5 more
europepmc   +1 more source

Cinnamic‐Hydroxamic‐Acid Derivatives Exhibit Antibiotic, Anti‐Biofilm, and Supercoiling Relaxation Properties by Targeting Bacterial Nucleoid‐Associated Protein HU

Advanced Science, EarlyView.
Cinnamic‐hydroxamic‐acid derivatives (CHADs) are identified as novel inhibitors of the bacterial nucleoid‐associated protein HU, exhibiting potent antibacterial, anti‐biofilm (both inhibition and eradication), and DNA relaxation (anti‐supercoiling) activities. Moreover, CHADs demonstrate strong synergistic effects with multiple antibiotics.
Huan Chen, Yingqi Xu, Zhaoping Xiong, Hongliang Wang, Xin Wang, Yue Kang, Zhonglin Wang, Xiaoyan Zeng, Yahui Liu, Yehuan Zheng, Wei Chen, Mengzhe Li, Zhenyue Hu, Chi Xu, Yue Wu, Yawen Wang, Zuyi Yuan, Shuai Yuan, Huadong Liu, Steve Matthews, Nan Qiao, Yan Li, Bing Liu   +22 more
wiley   +1 more source

PlasmoDocking: A User-Friendly Open-Source Web Tool for Virtual Screening Targeting Plasmodium falciparum Enzymes. [PDF]

J Comput Chem
Guariero FL, Macedo EP, Laia EB, Evaristo JAM, Evaristo GPC, Zanchi FB.   +5 more
europepmc   +1 more source

Wearable and Implantable Devices for Continuous Monitoring of Muscle Physiological Activity: A Review

Advanced Science, EarlyView.
Recent advances in materials and device engineering enable continuous, real‐time monitoring of muscle activity via wearable and implantable systems. This review critically summarizes emerging technologies for tracking electrophysiological, biomechanical, and oxygenation signals, outlines fundamental principles, and highlights key challenges and ...
Zhengwei Liao, Ata Golparvar, Mohammad Javad Bathaei, Filipe Arroyo Cardoso, Clementine M. Boutry   +4 more
wiley   +1 more source

AI-assisted discovery of potent FGFR1 inhibitors via virtual screening and in silico analysis. [PDF]

PLoS One
Shrestha RLS, Tamang A, Poudel Chhetri S, Parajuli N, Poudel M, M C S, Shrestha A, Shrestha T, Bharati S, Maharjan B, Marasini BP, Adhikari Subin J.   +11 more
europepmc   +1 more source

Allosteric targeting of RIPK1: discovery of novel inhibitors via parallel virtual screening and structure-guided optimization

R. S. K. Vijayan, Matthew M. Hamilton, Dana E. Pfaffinger, Fernando Álvarez, Naphtali J. Reyna, Jennifer Bardenhagen, Hannah Shepard, Christian Rodriguez, Sunil Goodwani, Yaíma L. Lightfoot, K. Maskos, Sven Johannsson, Georg Kempf, Quanyun A. Xu, Lars Neumann, Yongying Jiang, Mary Geck, Philip H. Jones, Richard T. Lewis, William J. Ray, Jason B. Cross   +20 more
openalex   +2 more sources

Identification of novel PTP1B inhibitor for the treatment of LPS-induced myocardial apoptosis: machine learning based virtual screening and biological evaluation. [PDF]

J Enzyme Inhib Med Chem
Dong X, Shang B, Li X, Zhang J, Liu Z, Feng B.   +5 more
europepmc   +1 more source

Novel pyrimido[1,2-<i>a</i>]imidazole derivatives as potent Pks13-TE inhibitors: structure-based virtual screening and rational design. [PDF]

RSC Med Chem
Li X, Liu Y, Shao W, Jiang D, Huang X, Rao Z, Peng W, Fang Y.   +7 more
europepmc   +1 more source

Energy Landscape-Guided Virtual Screening of Side-Chain Engineering in Polymer Dynamics Design. [PDF]

Polymers (Basel)
Liu H, Meng S, Li L.
europepmc   +1 more source