Identification of a selective G-quadruplex DNA binder using a multistep virtual screening approach

2015 ◽  
Vol 51 (1) ◽  
pp. 198-201 ◽  
Author(s):  
Jin-Qiang Hou ◽  
Shuo-Bin Chen ◽  
Li-Peng Zan ◽  
Tian-Miao Ou ◽  
Jia-Heng Tan ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Duplex Dna ◽  
Quadruplex Dna ◽  
Screening Approach ◽  
G Quadruplex ◽  
Virtual Screening Approach

A selective G-quadruplex binder was identified using a multistep virtual screening approach by simultaneously taking into account G-quadruplex and duplex DNA.

scholarly journals Identification of New Natural DNA G-Quadruplex Binders Selected by a Structure-Based Virtual Screening Approach

Molecules ◽  
2013 ◽  
Vol 18 (10) ◽  
pp. 12051-12070 ◽  
Author(s):  
Anna Artese ◽  
Giosuè Costa ◽  
Francesco Ortuso ◽  
Lucia Parrotta ◽  
Stefano Alcaro
Keyword(s):  
Virtual Screening ◽  
Screening Approach ◽  
G Quadruplex ◽  
Virtual Screening Approach

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

Multicarbazole scaffolds for selective G-quadruplex binding

2018 ◽  
Vol 54 (69) ◽  
pp. 9647-9650 ◽  
Author(s):  
Arnold Ou ◽  
Aurore Guédin ◽  
Brian W. Skelton ◽  
Samir Amrane ◽  
Cameron W. Evans ◽  
...  
Keyword(s):  
Duplex Dna ◽  
Quadruplex Dna ◽  
G Quadruplex

N-Functionalised multicarbazoles were found to be highly selective towards G-quadruplex DNA in the presence of 250× excess duplex DNA competitor.

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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