Results 171 to 180 of about 293,887 (293)

The discovery of monoamine oxidase inhibitors: virtual screening and in vitro inhibition potencies. [PDF]

J Comput Aided Mol Des
Shaw M, Petzer A, Crous C, Cloete TT, Petzer JP.   +4 more
europepmc   +1 more source

Hepatocyte Mettl3 Deficiency Drives Primary Sclerosing Cholangitis and Liver Fibrosis via Cholangiocyte‐Macrophage Crosstalk

Advanced Science, EarlyView.
Schematic illustration demonstrating that hepatic Mettl3 depletion significantly elevates the secretion of Mif and Csf1. This elevation facilitates Trem2+ macrophage infiltration and triggers cholangiocyte remodeling through the Spp1‐Cd44 interaction, resulting in spontaneous PSC development in vivo.
Wenting Pan, Yuting Yong, Yuanshuai Li, Gaona Shi, Min Zhang, Lingfei Wan, Yue Zhao, Wenling Zhan, Yanli Lin, Qiaozhen Qin, Xupeng Chen, Yanli Ni, Haixu Chen, Wenzai Shi, Xiaomeng Guo, Juan Chen, Shuchen Liu, Youliang Wang, Bing Liu, Xinlong Yan   +19 more
wiley   +1 more source

Computational prioritization of multi-target inhibitors: explainable QSAR and docking-based discovery of dual AChE/BACE1 chemotypes. [PDF]

J Comput Aided Mol Des
Bozkır İ, İbişoğlu MS, Kayıkçıoğlu Bozkır İ, Güler Hİ.   +3 more
europepmc   +1 more source

Synthetic utility of 4-chloro-2,5-dioxo-6-phenyl-5,6-dihydro-2H-pyrano[3,2-c]quinoline-3-carbaldehyde and molecular docking and cytotoxicity of its derivatives

Shawkat, Sara, Abass, Mohamed, Hassanin, Hany Mohamed, Abdel-Kader, Dalia   +3 more
openalex   +1 more source

Dipiperazine‐Phenyl Derivatives Based on Convergent Molecular Platforms Can Reverse Multidrug Resistance in Gram‐Negative Bacteria by Inhibiting Efflux and Permeabilizing Cell Membranes

Advanced Science, EarlyView.
By integrating a convergent molecular platform strategy, this study designed a novel dual‐target C5 to combat multidrug‐resistant Gram‐negative bacteria. C5 synergistically enhances antibiotic efficacy by inhibiting efflux pumps and increasing bacterial membrane permeability.
Jiale Dong, Ting Guo, Yi Huang, Yangchun Ma, Weijin Chen, Jie Xue, Jun Jiang, Enhui Dong, Yue Kong, Hang Ding, Wenlong Zhang, Shutao Ma   +11 more
wiley   +1 more source

Synthesis, BiologicalEvaluation, and Docking Studyof Rhinacanthin-Related Derivatives as α‑GlucosidaseInhibitors

Felicitas Ene (22209294), Dung Thi Kim Le (22209297), Duangjai Todsaporn (12563828), Thanyada Rungrotmongkol (791377), Warinthorn Chavasiri (551969)   +4 more
openalex   +1 more source

Implementation of an IR approach for autonomous docking in a self-configurable robotics system [PDF]

, 2009
W. Liu, Alan Winfield
openalex  

Host‐Directed Antiviral Activity of SB2960 Through Selective Induction and Remodeling of Stress Granules

Advanced Science, EarlyView.
Amid the ongoing threat of emerging viral pathogens, host‐directed antivirals offer a strategy to overcome viral mutation and drug resistance. SB2960, a small‐molecule inducer of stress granules (SGs), exhibits potent broad‐spectrum antiviral activity with minimal cytotoxicity.
Wan Gi Byun, Sumin Son, JinAh Lee, Minha Lee, Meehyun Ko, Songrui Zhao, Ju Hee Kim, Kannan Vaithegi, Ji Hoon Kwon, Jung Ho Lee, Sangeun Jeon, Dawon Yi, Peng Zou, Seungtaek Kim, Seung Bum Park   +14 more
wiley   +1 more source

PepScorer::RMSD: An Improved Machine Learning Scoring Function for Protein-Peptide Docking. [PDF]

Int J Mol Sci
Cavalli AG, Vistoli G, Pedretti A, Fumagalli L, Mazzolari A.   +4 more
europepmc   +1 more source

Molecular Docking and MDS.

Yihan Lai (21956710), Runqiang Liu (10843109), Huajie Shao (21956713), Juan Zhan (10064344), Yujie Ma (461115), Lanfei Zhou (21956716), Zhichao Wan (21956719), Sicheng Li (7864562), Wei Wang (17594), Lin Jiang (217766), Yisen Shao (8895788)   +10 more
openalex   +1 more source