De novo design of thioredoxin reductase-targeted heterometallic titanocene–gold compounds of chlorambucil for mechanistic insights into renal cancer

2020 ◽  
Vol 56 (2) ◽  
pp. 297-300 ◽  
Author(s):  
Leila Tabrizi ◽  
Lukman O. Olasunkanmi ◽  
Olatomide A. Fadare
Keyword(s):  
Computational Methods ◽  
Renal Cancer ◽  
Mechanism Of Action ◽  
De Novo ◽  
Thioredoxin Reductase ◽  
De Novo Design ◽  
Gold Compounds

A chlorambucil-alkynyl mononuclear gold(i) complex and heteronuclear titanocene–gold(i) complex were studied for mechanism of action in renal cancer by experimental and computational methods.

De Novo Design of Ligands Using Computational Methods

2018 ◽  
pp. 71-86 ◽  
Author(s):  
Venkatesan Suryanarayanan ◽  
Umesh Panwar ◽  
Ishwar Chandra ◽  
Sanjeev Kumar Singh
Keyword(s):  
Computational Methods ◽  
De Novo ◽  
De Novo Design

Towards the de novo design of DNA based catalytic sites using a combined NMR and in silico approach

2014 ◽  
Author(s):  
Dieter Buyst ◽  
V. Gheerardijn ◽  
J. Van Den Begin ◽  
A. Madder ◽  
J. C. Martins
Keyword(s):  
In Silico ◽  
De Novo ◽  
De Novo Design ◽  
Catalytic Sites

scholarly journals De Novo Design of Selective Quadruplex‐Duplex Junction Ligands and Structural Characterisation of their Binding Mode: Targeting the G4 Hot‐Spot

2020 ◽  
Author(s):  
Laura Díaz-Casado ◽  
Israel Serrano-Chacón ◽  
Laura Montalvillo-Jiménez ◽  
Francisco Corzana ◽  
Agatha Bastida ◽  
...  
Keyword(s):  
De Novo ◽  
Hot Spot ◽  
Binding Mode ◽  
De Novo Design ◽  
Structural Characterisation

scholarly journals De novo design of modular and tunable protein biosensors

Nature ◽  
2021 ◽  
Author(s):  
Alfredo Quijano-Rubio ◽  
Hsien-Wei Yeh ◽  
Jooyoung Park ◽  
Hansol Lee ◽  
Robert A. Langan ◽  
...  
Keyword(s):  
De Novo ◽  
De Novo Design

scholarly journals Front Cover: De Novo Design of Selective Quadruplex–Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot‐Spot (Chem. Eur. J. 20/2021)

2021 ◽  
Vol 27 (20) ◽  
pp. 6101-6101
Author(s):  
Laura Díaz‐Casado ◽  
Israel Serrano‐Chacón ◽  
Laura Montalvillo‐Jiménez ◽  
Francisco Corzana ◽  
Agatha Bastida ◽  
...  
Keyword(s):  
De Novo ◽  
Hot Spot ◽  
Binding Mode ◽  
De Novo Design ◽  
Front Cover ◽  
Structural Characterisation

scholarly journals De Novo Design of Peptidic Positive Allosteric Modulators Targeting TRPV1 with Analgesic Effects

2021 ◽  
pp. 2101716
Author(s):  
Lizhen Xu ◽  
Heng Zhang ◽  
Yunfei Wang ◽  
Xiancui Lu ◽  
Zhenye Zhao ◽  
...  
Keyword(s):  
De Novo ◽  
De Novo Design ◽  
Allosteric Modulators ◽  
Analgesic Effects ◽  
Positive Allosteric Modulators

scholarly journals De Novo Design of Functional Coassembling Organic–Inorganic Hydrogels for Hierarchical Mineralization and Neovascularization

ACS Nano ◽  
2021 ◽  
Author(s):  
Babatunde O. Okesola ◽  
Ana Karen Mendoza-Martinez ◽  
Gianluca Cidonio ◽  
Burak Derkus ◽  
Delali K. Boccorh ◽  
...  
Keyword(s):  
De Novo ◽  
De Novo Design
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