In silico identification of putative bifunctional Plk1 inhibitors by integrative virtual screening and structural dynamics approach

2016 ◽  
Vol 388 ◽  
pp. 72-84 ◽  
Author(s):  
Shagufta Shafique ◽  
Nousheen Bibi ◽  
Sajid Rashid
Keyword(s):  
Virtual Screening ◽  
Structural Dynamics ◽  
In Silico ◽  
In Silico Identification

In silico identification and validation of a novel hypothetical protein in Cryptosporidium hominis and virtual screening of inhibitors as therapeutics

2017 ◽  
Vol 116 (5) ◽  
pp. 1533-1544 ◽  
Author(s):  
Arpit Kumar Shrivastava ◽  
Subrat Kumar ◽  
Priyadarshi Soumyaranjan Sahu ◽  
Rajani Kanta Mahapatra
Keyword(s):  
Virtual Screening ◽  
In Silico ◽  
Hypothetical Protein ◽  
Cryptosporidium Hominis ◽  
In Silico Identification

Structure based in silico identification of potentially non-steroidal brassinosteroids mimics

2017 ◽  
Vol 13 (7) ◽  
pp. 1364-1369 ◽  
Author(s):  
Beilei Lei ◽  
Ningjuan Heng ◽  
Xiaoxue Dang ◽  
Jiyuan Liu ◽  
Xiaojun Yao ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
In Silico ◽  
In Silico Identification

The identification of non-steroidal BRs-like molecules via structure-based pharmacophore virtual screening, molecular docking and bioassay.

scholarly journals Discriminatory analysis based molecular docking study for in silico identification of epigallocatechin-3-gallate (EGCG) derivatives as B-RafV600E inhibitors

RSC Advances ◽  
2017 ◽  
Vol 7 (71) ◽  
pp. 44820-44826 ◽  
Author(s):  
Huazhou Ying ◽  
Jiangfeng Xie ◽  
Xingguo Liu ◽  
Tingting Yao ◽  
Xiaowu Dong ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
In Silico ◽  
Docking Study ◽  
Biological Testing ◽  
Molecular Docking Study ◽  
Discriminatory Analysis ◽  
In Silico Identification

Virtual screening and biological testing were utilized to identify novel B-RafV600E inhibitors.

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