Identification of new potent A1 adenosine receptor antagonists using a multistage virtual screening approach

2020 ◽  
Vol 187 ◽  
pp. 111936 ◽  
Author(s):  
Yu Wei ◽  
Mukuo Wang ◽  
Yang Li ◽  
Zhangyong Hong ◽  
Dongmei Li ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Adenosine Receptor ◽  
Receptor Antagonists ◽  
A1 Adenosine Receptor ◽  
Screening Approach ◽  
Virtual Screening Approach

Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors

2016 ◽  
Vol 22 (21) ◽  
pp. 3082-3096 ◽  
Author(s):  
Aliuska Morales Helguera ◽  
Yunierkis Perez-Castillo ◽  
M. Natália D.S. Cordeiro ◽  
Eduardo Tejera ◽  
César Paz-y-Miño ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Monoamine Oxidase ◽  
Adenosine Receptor ◽  
Monoamine Oxidase B ◽  
Receptor Antagonists ◽  
A2a Adenosine Receptor

Structure-based virtual screening and ADME/T-based profiling for low molecular weight chemical starting points as p21-activated kinase 4 inhibitors

RSC Advances ◽  
2015 ◽  
Vol 5 (30) ◽  
pp. 23202-23209 ◽  
Author(s):  
Ruijuan Li ◽  
Xiaolin Su ◽  
Zheng Chen ◽  
Wanxu Huang ◽  
Yali Wang ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Virtual Screening ◽  
Chemical Modification ◽  
Low Molecular Weight ◽  
Screening Approach ◽  
P21 Activated Kinase ◽  
Virtual Screening Approach

Novel PAK4 inhibitors were discovered using structure-based virtual screening approach for further chemical modification.

scholarly journals Identification of Previously Unrecognized Antiestrogenic Chemicals Using a Novel Virtual Screening Approach

2006 ◽  
Vol 19 (12) ◽  
pp. 1595-1601 ◽  
Author(s):  
Ching Y. Wang ◽  
Ni Ai ◽  
Sonia Arora ◽  
Karthigeyan Nagarajan ◽  
Randy Zauhar ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Screening Approach ◽  
Virtual Screening Approach

Identification of Novel Antitubulin Agents by Using a Virtual Screening Approach Based on a 7-Point Pharmacophore Model of the Tubulin Colchi-Site

2011 ◽  
Vol 78 (6) ◽  
pp. 913-922 ◽  
Author(s):  
Alberto Massarotti ◽  
Sewan Theeramunkong ◽  
Ornella Mesenzani ◽  
Antonio Caldarelli ◽  
Armando A. Genazzani ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Pharmacophore Model ◽  
Screening Approach ◽  
Virtual Screening Approach

scholarly journals GPCR Structure-Based Virtual Screening Approach for CB2 Antagonist Search.

ChemInform ◽  
2007 ◽  
Vol 38 (42) ◽  
Author(s):  
Jian-Zhong Chen ◽  
Junmei Wang ◽  
Xiang-Qun Xie
Keyword(s):  
Virtual Screening ◽  
Screening Approach ◽  
Gpcr Structure ◽  
Virtual Screening Approach

Multilevel virtual screening approach for discovery of thymidine phosphorylase inhibitors as potential anticancer agents

2022 ◽  
Vol 1249 ◽  
pp. 131648
Author(s):  
Dorota Stary ◽  
Jędrzej Kukułowicz ◽  
Izabella Góral ◽  
Hanna Baltrukevich ◽  
Marharyta Barbasevich ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Anticancer Agents ◽  
Thymidine Phosphorylase ◽  
Screening Approach ◽  
Virtual Screening Approach

Identification of potent bovine viral diarrhea virus inhibitors by a structure-based virtual screening approach

2019 ◽  
Vol 29 (2) ◽  
pp. 262-266 ◽  
Author(s):  
Eliana F. Castro ◽  
Juan J. Casal ◽  
María J. España de Marco ◽  
Leandro Battini ◽  
Matías Fabiani ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Bovine Viral Diarrhea Virus ◽  
Bovine Viral Diarrhea ◽  
Diarrhea Virus ◽  
Viral Diarrhea ◽  
Screening Approach ◽  
Viral Diarrhea Virus ◽  
Virtual Screening Approach
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